SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'ASP'


List of Similar Pattern of Amino Acids

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Dali
Z-score		 Seq.
Identity (%)		 View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1BU5_B_RBFB302_1
(PROTEIN (FLAVODOXIN))		 4kqn D-HYDANTOINASE
(Bacillus
sp.
AR9) 		4 / 8 THR A  16
ASN A 362
ASP A 397
TYR A 350
 THR  A  16 ( 0.8A)
ASN  A 362 ( 0.6A)
ASP  A 397 ( 0.6A)
TYR  A 350 ( 1.3A)
 1.03A 1bu5B-4kqnA:
undetectable		 1bu5B-4kqnA:
16.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1CEA_A_ACAA90_1
(PLASMINOGEN)		 2qc5 STREPTOGRAMIN B
LACTONASE
(Staphylococcus
cohnii) 		4 / 8 ASP A 151
TRP A 155
TYR A 176
THR A 168
 ASP  A 151 ( 0.6A)
TRP  A 155 ( 0.5A)
TYR  A 176 ( 1.3A)
THR  A 168 ( 0.8A)
 1.07A 1ceaA-2qc5A:
undetectable
1ceaB-2qc5A:
undetectable		 1ceaA-2qc5A:
13.82
1ceaB-2qc5A:
13.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1CEA_A_ACAA90_1
(PLASMINOGEN)		 2qc5 STREPTOGRAMIN B
LACTONASE
(Staphylococcus
cohnii) 		4 / 8 ASP A 193
TRP A 197
TYR A 218
THR A 210
 ASP  A 193 ( 0.6A)
TRP  A 197 ( 0.5A)
TYR  A 218 ( 1.3A)
THR  A 210 ( 0.8A)
 1.13A 1ceaA-2qc5A:
undetectable
1ceaB-2qc5A:
undetectable		 1ceaA-2qc5A:
13.82
1ceaB-2qc5A:
13.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1D4S_A_TPVA201_1
(PROTEIN (HIV-1
PROTEASE))		 1ryn PROTEIN CRS2
(Zea
mays) 		5 / 10 ASP A  95
ASP A  94
VAL A  24
ILE A 137
GLY A 101
 ASP  A  95 ( 0.6A)
ASP  A  94 ( 0.6A)
VAL  A  24 ( 0.5A)
ILE  A 137 ( 0.6A)
GLY  A 101 ( 0.0A)
 1.19A 1d4sA-1rynA:
undetectable		 1d4sA-1rynA:
18.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DX6_A_GNTA602_1
(ACETYLCHOLINESTERASE)		 4mwt LYSOSOMAL PROTECTIVE
PROTEIN
(Homo
sapiens) 		5 / 12 ASP A 300
GLY A  56
GLY A  57
SER A 150
HIS A 429
 ASP  A 300 ( 0.6A)
GLY  A  56 ( 0.0A)
GLY  A  57 ( 0.0A)
SER  A 150 ( 0.0A)
HIS  A 429 ( 1.0A)
 1.01A 1dx6A-4mwtA:
8.6		 1dx6A-4mwtA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DY4_A_SNPA437_1
(EXOGLUCANASE 1)		 5w0a GLUCANASE
(Trichoderma
harzianum) 		8 / 12 ALA A 144
TYR A 146
TYR A 170
ASP A 172
GLN A 174
GLU A 196
ASP A 198
GLU A 201
 ALA  A 144 ( 0.0A)
TYR  A 146 ( 1.3A)
TYR  A 170 ( 1.3A)
ASP  A 172 ( 0.5A)
GLN  A 174 ( 0.5A)
GLU  A 196 ( 0.6A)
ASP  A 198 (-0.6A)
GLU  A 201 (-0.5A)
 0.36A 1dy4A-5w0aA:
48.5		 1dy4A-5w0aA:
11.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DY4_A_SNPA437_1
(EXOGLUCANASE 1)		 5w0a GLUCANASE
(Trichoderma
harzianum) 		6 / 12 ALA A 144
TYR A 146
TYR A 170
ASP A 198
GLU A 201
ASP A 322
 ALA  A 144 ( 0.0A)
TYR  A 146 ( 1.3A)
TYR  A 170 ( 1.3A)
ASP  A 198 (-0.6A)
GLU  A 201 (-0.5A)
ASP  A 322 ( 0.6A)
 0.76A 1dy4A-5w0aA:
48.5		 1dy4A-5w0aA:
11.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DZ4_A_CAMA502_0
(CYTOCHROME P450-CAM)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 6 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 0.99A 1dz4A-5lmxC:
undetectable		 1dz4A-5lmxC:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DZ4_B_CAMB502_0
(CYTOCHROME P450-CAM)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 6 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 0.97A 1dz4B-5lmxC:
undetectable		 1dz4B-5lmxC:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E7B_B_HLTB4001_1
(SERUM ALBUMIN)		 1fxj UDP-N-ACETYLGLUCOSAM
INE
PYROPHOSPHORYLASE
(Escherichia
coli) 		4 / 4 ARG A 289
LYS A 291
ASP A 306
GLY A 304
 ARG  A 289 ( 0.6A)
LYS  A 291 ( 0.0A)
ASP  A 306 ( 0.5A)
GLY  A 304 ( 0.0A)
 1.28A 1e7bB-1fxjA:
0.0		 1e7bB-1fxjA:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E7C_A_HLTA4001_1
(SERUM ALBUMIN)		 1fxj UDP-N-ACETYLGLUCOSAM
INE
PYROPHOSPHORYLASE
(Escherichia
coli) 		4 / 5 ARG A 289
LYS A 291
ASP A 306
GLY A 304
 ARG  A 289 ( 0.6A)
LYS  A 291 ( 0.0A)
ASP  A 306 ( 0.5A)
GLY  A 304 ( 0.0A)
 1.19A 1e7cA-1fxjA:
undetectable		 1e7cA-1fxjA:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E7C_A_HLTA4001_1
(SERUM ALBUMIN)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 5 LYS C 218
ALA C 217
ASP C 215
GLY C 213
 LYS  C 218 ( 0.0A)
ALA  C 217 ( 0.0A)
ASP  C 215 ( 0.6A)
GLY  C 213 ( 0.0A)
 1.17A 1e7cA-5lmxC:
2.1		 1e7cA-5lmxC:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E7C_A_HLTA4007_1
(SERUM ALBUMIN)		 2qvs CAMP-DEPENDENT
PROTEIN KINASE TYPE
II-ALPHA REGULATORY
SUBUNIT
(Mus
musculus) 		4 / 8 ASN B 240
ASP B 140
LEU B 144
LEU B 139
 ASN  B 240 ( 0.6A)
ASP  B 140 ( 0.5A)
LEU  B 144 ( 0.6A)
LEU  B 139 ( 0.6A)
 1.00A 1e7cA-2qvsB:
undetectable		 1e7cA-2qvsB:
18.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E7W_A_MTXA301_1
(PTERIDINE REDUCTASE)		 3p9w HUMAN VEGF
(Homo
sapiens) 		5 / 12 PRO B  41
LEU B 108
LEU B  18
LEU B  82
ASP B  86
 PRO  B  41 ( 1.1A)
LEU  B 108 ( 0.6A)
LEU  B  18 ( 0.5A)
LEU  B  82 ( 0.5A)
ASP  B  86 ( 0.5A)
 1.26A 1e7wA-3p9wB:
undetectable		 1e7wA-3p9wB:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E9L_A_GCSA800_1
(YM1 SECRETORY
PROTEIN)		 5gpr CHITINASE
(Ostrinia
furnacalis) 		8 / 9 TYR A 156
PHE A 184
GLY A 267
ASP A 306
MET A 381
TYR A 383
ASP A 384
TRP A 532
 TYR  A 156 ( 1.3A)
PHE  A 184 ( 1.3A)
GLY  A 267 ( 0.0A)
ASP  A 306 ( 0.5A)
MET  A 381 ( 0.0A)
TYR  A 383 ( 1.3A)
ASP  A 384 ( 0.5A)
TRP  A 532 ( 0.5A)
 0.84A 1e9lA-5gprA:
42.6		 1e9lA-5gprA:
23.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E9Y_B_HAEB800_1
(UREASE SUBUNIT BETA)		 4kqn D-HYDANTOINASE
(Bacillus
sp.
AR9) 		4 / 5 HIS A  58
HIS A 183
HIS A 239
ASP A 315
 HIS  A  58 (-1.0A)
HIS  A 183 (-1.0A)
HIS  A 239 (-1.0A)
ASP  A 315 (-0.6A)
 0.43A 1e9yB-4kqnA:
23.2		 1e9yB-4kqnA:
22.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EIZ_A_SAMA301_1
(FTSJ)		 2qvs CAMP-DEPENDENT
PROTEIN KINASE TYPE
II-ALPHA REGULATORY
SUBUNIT
(Mus
musculus) 		3 / 3 ASP B 181
ASP B 197
ASP B 159
 ASP  B 181 ( 0.5A)
ASP  B 197 ( 0.6A)
ASP  B 159 ( 0.5A)
 0.71A 1eizA-2qvsB:
undetectable		 1eizA-2qvsB:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EIZ_A_SAMA301_1
(FTSJ)		 3ghg FIBRINOGEN GAMMA
CHAIN
(Homo
sapiens) 		3 / 3 ASP C 294
ASP C 298
ASP C 291
 ASP  C 294 ( 0.5A)
ASP  C 298 ( 0.6A)
ASP  C 291 ( 0.6A)
 0.79A 1eizA-3ghgC:
undetectable		 1eizA-3ghgC:
15.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EIZ_A_SAMA301_1
(FTSJ)		 4zke SUPERKILLER PROTEIN
7
(Saccharomyces
cerevisiae) 		3 / 3 ASP A 669
ASP A 695
ASP A 666
 ASP  A 669 ( 0.5A)
ASP  A 695 ( 0.6A)
ASP  A 666 ( 0.6A)
 0.64A 1eizA-4zkeA:
3.3		 1eizA-4zkeA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EJ0_A_SAMA301_1
(FTSJ)		 2qvs CAMP-DEPENDENT
PROTEIN KINASE TYPE
II-ALPHA REGULATORY
SUBUNIT
(Mus
musculus) 		3 / 3 ASP B 181
ASP B 197
ASP B 159
 ASP  B 181 ( 0.5A)
ASP  B 197 ( 0.6A)
ASP  B 159 ( 0.5A)
 0.70A 1ej0A-2qvsB:
undetectable		 1ej0A-2qvsB:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EJ0_A_SAMA301_1
(FTSJ)		 3ghg FIBRINOGEN GAMMA
CHAIN
(Homo
sapiens) 		3 / 3 ASP C 294
ASP C 298
ASP C 291
 ASP  C 294 ( 0.5A)
ASP  C 298 ( 0.6A)
ASP  C 291 ( 0.6A)
 0.74A 1ej0A-3ghgC:
undetectable		 1ej0A-3ghgC:
15.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EJ0_A_SAMA301_1
(FTSJ)		 4zke SUPERKILLER PROTEIN
7
(Saccharomyces
cerevisiae) 		3 / 3 ASP A 669
ASP A 695
ASP A 666
 ASP  A 669 ( 0.5A)
ASP  A 695 ( 0.6A)
ASP  A 666 ( 0.6A)
 0.67A 1ej0A-4zkeA:
undetectable		 1ej0A-4zkeA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ETA_1_T441128_1
(TRANSTHYRETIN)		 1y79 PEPTIDYL-DIPEPTIDASE
DCP
(Escherichia
coli) 		4 / 5 LEU 1 551
GLU 1 583
ALA 1 554
LEU 1 550
 None
None
None
ASP  1 704 ( 4.7A)
 1.21A 1eta1-1y791:
undetectable		 1eta1-1y791:
12.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1F9G_A_ASCA950_0
(HYALURONATE LYASE)		 5fdn PHOSPHOENOLPYRUVATE
CARBOXYLASE 3
(Arabidopsis
thaliana) 		4 / 7 ARG A 690
ASN A 966
ARG A 891
ARG A 887
 None
ASP  A1001 (-3.0A)
ASP  A1001 (-2.9A)
ASP  A1001 ( 3.8A)
 1.21A 1f9gA-5fdnA:
2.7		 1f9gA-5fdnA:
22.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FFY_A_MRCA1993_1
(ISOLEUCYL-TRNA
SYNTHETASE)		 4oud TYROSYL-TRNA
SYNTHETASE
(Escherichia
coli) 		5 / 12 HIS B  48
GLY B  50
GLY B 198
ASP B 200
GLN B 201
 HIS  B  48 ( 1.0A)
GLY  B  50 ( 0.0A)
GLY  B 198 ( 0.0A)
ASP  B 200 ( 0.6A)
GLN  B 201 ( 0.6A)
 0.59A 1ffyA-4oudB:
5.1		 1ffyA-4oudB:
17.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FWE_C_HAEC989_1
(UREASE)		 4kqn D-HYDANTOINASE
(Bacillus
sp.
AR9) 		5 / 6 HIS A  58
HIS A  60
HIS A 183
HIS A 239
ASP A 315
 HIS  A  58 (-1.0A)
HIS  A  60 (-1.0A)
HIS  A 183 (-1.0A)
HIS  A 239 (-1.0A)
ASP  A 315 (-0.6A)
 0.56A 1fweC-4kqnA:
24.2		 1fweC-4kqnA:
24.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTN_V_TRPV81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 4o48 UNCHARACTERIZED
PROTEIN
(Cavia
porcellus) 		5 / 12 GLY A   9
ALA A  12
GLY A 188
THR A 219
ILE A 189
 None
None
ASP  A 402 (-3.6A)
ASP  A 402 (-3.7A)
ASP  A 402 (-4.5A)
 1.02A 1gtnL-4o48A:
undetectable
1gtnV-4o48A:
undetectable		 1gtnL-4o48A:
14.56
1gtnV-4o48A:
14.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HSG_B_MK1B902_2
(HIV-1 PROTEASE)		 5nks DIHYDROPYRIMIDINASE-
RELATED PROTEIN 4
(Homo
sapiens) 		5 / 12 GLY A  21
ALA A  60
ASP A  59
VAL A 445
ILE A 411
 GLY  A  21 ( 0.0A)
ALA  A  60 ( 0.0A)
ASP  A  59 ( 0.6A)
VAL  A 445 ( 0.6A)
ILE  A 411 ( 0.7A)
 1.03A 1hsgB-5nksA:
undetectable		 1hsgB-5nksA:
9.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HTT_C_HISC450_0
(HISTIDYL-TRNA
SYNTHETASE)		 5w25 ASPARTATE--TRNA(ASP/
ASN) LIGASE
(Mycobacterium
tuberculosis) 		5 / 12 GLU A 173
GLN A 233
GLY A 489
GLY A 533
ALA A 535
 ASP  A 701 (-3.2A)
ASP  A 701 (-3.3A)
ASP  A 701 ( 4.0A)
None
ASP  A 701 (-3.6A)
 0.79A 1httC-5w25A:
14.5		 1httC-5w25A:
23.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HTT_D_HISD450_0
(HISTIDYL-TRNA
SYNTHETASE)		 5w25 ASPARTATE--TRNA(ASP/
ASN) LIGASE
(Mycobacterium
tuberculosis) 		5 / 12 ARG A 219
GLN A 233
GLY A 489
GLY A 533
ALA A 535
 ASP  A 701 (-3.2A)
ASP  A 701 (-3.3A)
ASP  A 701 ( 4.0A)
None
ASP  A 701 (-3.6A)
 0.44A 1httD-5w25A:
14.6		 1httD-5w25A:
23.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HTT_D_HISD450_0
(HISTIDYL-TRNA
SYNTHETASE)		 5w25 ASPARTATE--TRNA(ASP/
ASN) LIGASE
(Mycobacterium
tuberculosis) 		5 / 12 GLU A 173
ARG A 227
GLN A 233
GLY A 489
ALA A 535
 ASP  A 701 (-3.2A)
None
ASP  A 701 (-3.3A)
ASP  A 701 ( 4.0A)
ASP  A 701 (-3.6A)
 1.06A 1httD-5w25A:
14.6		 1httD-5w25A:
23.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HTT_D_HISD450_0
(HISTIDYL-TRNA
SYNTHETASE)		 5w25 ASPARTATE--TRNA(ASP/
ASN) LIGASE
(Mycobacterium
tuberculosis) 		5 / 12 GLU A 173
GLN A 233
GLY A 489
GLY A 533
ALA A 535
 ASP  A 701 (-3.2A)
ASP  A 701 (-3.3A)
ASP  A 701 ( 4.0A)
None
ASP  A 701 (-3.6A)
 0.88A 1httD-5w25A:
14.6		 1httD-5w25A:
23.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HVY_C_D16C416_1
(THYMIDYLATE SYNTHASE)		 3ab7 PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0350
(Thermus
thermophilus) 		5 / 11 ILE A 257
ASN A 259
ASP A 124
GLY A 125
PHE A 126
 ILE  A 257 ( 0.6A)
ASN  A 259 ( 0.6A)
ASP  A 124 ( 0.6A)
GLY  A 125 ( 0.0A)
PHE  A 126 ( 1.3A)
 1.34A 1hvyC-3ab7A:
undetectable		 1hvyC-3ab7A:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWI_C_115C4_1
(HMG-COA REDUCTASE)		 1vho ENDOGLUCANASE
(Thermotoga
maritima) 		4 / 7 VAL A 177
SER A 174
ASN A 171
ASP A 225
 VAL  A 177 ( 0.6A)
SER  A 174 ( 0.0A)
ASN  A 171 ( 0.6A)
ASP  A 225 ( 0.6A)
 1.29A 1hwiC-1vhoA:
undetectable		 1hwiC-1vhoA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWI_D_115D3_2
(HMG-COA REDUCTASE)		 1vho ENDOGLUCANASE
(Thermotoga
maritima) 		4 / 7 VAL A 177
SER A 174
ASN A 171
ASP A 225
 VAL  A 177 ( 0.6A)
SER  A 174 ( 0.0A)
ASN  A 171 ( 0.6A)
ASP  A 225 ( 0.6A)
 1.29A 1hwiD-1vhoA:
undetectable		 1hwiD-1vhoA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HXW_B_RITB301_2
(HIV-1 PROTEASE)		 2wlt L-ASPARAGINASE
(Helicobacter
pylori) 		5 / 11 LEU A  73
ASP A  64
GLY A  15
ILE A  17
VAL A  57
 None
None
ASP  A1333 (-3.2A)
None
None
 0.98A 1hxwB-2wltA:
undetectable		 1hxwB-2wltA:
16.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1I7Q_C_BEZC1502_0
(ANTHRANILATE
SYNTHASE)		 4pu6 L-ASPARAGINASE ALPHA
SUBUNIT
L-ASPARAGINASE BETA
SUBUNIT
(Phaseolus
vulgaris;
Phaseolus
vulgaris) 		5 / 10 ILE B 292
GLY B 290
THR B 246
HIS A   9
GLY B 308
 None
None
ASP  B 501 (-3.6A)
None
None
 1.19A 1i7qC-4pu6B:
undetectable		 1i7qC-4pu6B:
12.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ILQ_C_ACAC7_1
(INTERLEUKIN-8
PRECURSOR
INTERLEUKIN-8
RECEPTOR A)		 4yzr POLYKETIDE
BIOSYNTHESIS
CYTOCHROME P450 PKSS
(Bacillus
subtilis) 		4 / 6 HIS A  99
ASP A  95
ASP A  65
PRO A  97
 HIS  A  99 (-1.0A)
ASP  A  95 ( 0.6A)
ASP  A  65 ( 0.6A)
PRO  A  97 ( 1.0A)
 1.49A 1ilqA-4yzrA:
undetectable
1ilqC-4yzrA:
undetectable		 1ilqA-4yzrA:
13.02
1ilqC-4yzrA:
5.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1IWH_A_PEMA501_1
(HEMOGLOBIN ALPHA
CHAIN)		 1c8x ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE H
(Streptomyces
plicatus) 		4 / 6 ALA A 110
LYS A 113
ASP A 117
ALA A 118
 ALA  A 110 ( 0.0A)
LYS  A 113 ( 0.0A)
ASP  A 117 ( 0.6A)
ALA  A 118 ( 0.0A)
 0.23A 1iwhA-1c8xA:
undetectable		 1iwhA-1c8xA:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1J36_A_LPRA801_1
(ANGIOTENSIN
CONVERTING ENZYME)		 1y79 PEPTIDYL-DIPEPTIDASE
DCP
(Escherichia
coli) 		8 / 12 THR 1 466
HIS 1 469
GLU 1 470
HIS 1 473
GLU 1 498
HIS 1 601
TYR 1 611
TYR 1 614
 GLY  1 703 ( 4.6A)
ZN  1 700 (-3.2A)
TRP  1 702 ( 2.6A)
ZN  1 700 ( 3.3A)
ZN  1 700 ( 2.2A)
TRP  1 702 ( 3.8A)
ASP  1 704 (-4.7A)
ASP  1 704 (-3.5A)
 0.41A 1j36A-1y791:
19.7		 1j36A-1y791:
23.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1J36_B_LPRB802_1
(ANGIOTENSIN
CONVERTING ENZYME)		 1y79 PEPTIDYL-DIPEPTIDASE
DCP
(Escherichia
coli) 		8 / 12 THR 1 466
HIS 1 469
GLU 1 470
HIS 1 473
GLU 1 498
HIS 1 601
TYR 1 611
TYR 1 614
 GLY  1 703 ( 4.6A)
ZN  1 700 (-3.2A)
TRP  1 702 ( 2.6A)
ZN  1 700 ( 3.3A)
ZN  1 700 ( 2.2A)
TRP  1 702 ( 3.8A)
ASP  1 704 (-4.7A)
ASP  1 704 (-3.5A)
 0.41A 1j36B-1y791:
19.8		 1j36B-1y791:
23.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1J37_A_X8ZA801_1
(ANGIOTENSIN
CONVERTING ENZYME)		 1y79 PEPTIDYL-DIPEPTIDASE
DCP
(Escherichia
coli) 		7 / 11 HIS 1 469
GLU 1 470
HIS 1 473
GLU 1 498
HIS 1 601
TYR 1 611
TYR 1 614
 ZN  1 700 (-3.2A)
TRP  1 702 ( 2.6A)
ZN  1 700 ( 3.3A)
ZN  1 700 ( 2.2A)
TRP  1 702 ( 3.8A)
ASP  1 704 (-4.7A)
ASP  1 704 (-3.5A)
 0.45A 1j37A-1y791:
19.7		 1j37A-1y791:
23.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1J37_B_X8ZB802_1
(ANGIOTENSIN
CONVERTING ENZYME)		 1y79 PEPTIDYL-DIPEPTIDASE
DCP
(Escherichia
coli) 		7 / 11 HIS 1 469
GLU 1 470
HIS 1 473
GLU 1 498
HIS 1 601
TYR 1 611
TYR 1 614
 ZN  1 700 (-3.2A)
TRP  1 702 ( 2.6A)
ZN  1 700 ( 3.3A)
ZN  1 700 ( 2.2A)
TRP  1 702 ( 3.8A)
ASP  1 704 (-4.7A)
ASP  1 704 (-3.5A)
 0.44A 1j37B-1y791:
19.7		 1j37B-1y791:
23.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JZS_A_MRCA1301_1
(ISOLEUCYL-TRNA
SYNTHETASE)		 4oud TYROSYL-TRNA
SYNTHETASE
(Escherichia
coli) 		7 / 11 GLY B  39
HIS B  48
HIS B  51
GLY B 198
ASP B 200
GLN B 201
ILE B 228
 GLY  B  39 ( 0.0A)
HIS  B  48 ( 1.0A)
HIS  B  51 ( 1.0A)
GLY  B 198 ( 0.0A)
ASP  B 200 ( 0.6A)
GLN  B 201 ( 0.6A)
ILE  B 228 ( 0.7A)
 0.67A 1jzsA-4oudB:
1.1		 1jzsA-4oudB:
19.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LHV_A_NOGA301_1
(SEX HORMONE-BINDING
GLOBULIN)		 1aoa T-FIMBRIN
(Homo
sapiens) 		4 / 8 THR A 354
ASP A 357
PHE A 352
ASN A 362
 THR  A 354 ( 0.8A)
ASP  A 357 ( 0.6A)
PHE  A 352 ( 1.3A)
ASN  A 362 ( 0.6A)
 0.97A 1lhvA-1aoaA:
undetectable		 1lhvA-1aoaA:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LIK_A_ADNA699_1
(ADENOSINE KINASE)		 4urs DIGUANYLATE CYCLASE
(Thermotoga
maritima) 		5 / 12 ASP A 143
LEU A  96
GLY A 142
ASN A 134
THR A  94
 ASP  A 143 ( 0.6A)
LEU  A  96 ( 0.6A)
GLY  A 142 ( 0.0A)
ASN  A 134 ( 0.6A)
THR  A  94 ( 0.8A)
 1.15A 1likA-4ursA:
undetectable		 1likA-4ursA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M4I_A_KANA500_1
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		 1tza APAG PROTEIN
(Shewanella
oneidensis) 		4 / 8 ASP A   5
GLU A  41
GLY A  40
SER A 104
 ASP  A   5 ( 0.6A)
GLU  A  41 ( 0.6A)
GLY  A  40 ( 0.0A)
SER  A 104 ( 0.0A)
 0.89A 1m4iA-1tzaA:
undetectable		 1m4iA-1tzaA:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MAA_A_DMEA998_1
(ACETYLCHOLINESTERASE)		 4mwt LYSOSOMAL PROTECTIVE
PROTEIN
(Homo
sapiens) 		5 / 12 ASP A 300
GLY A  57
GLU A 149
SER A 150
HIS A 429
 ASP  A 300 ( 0.6A)
GLY  A  57 ( 0.0A)
GLU  A 149 ( 0.5A)
SER  A 150 ( 0.0A)
HIS  A 429 ( 1.0A)
 1.23A 1maaA-4mwtA:
11.4		 1maaA-4mwtA:
23.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MJQ_D_SAMD200_0
(METHIONINE REPRESSOR)		 2j0w LYSINE-SENSITIVE
ASPARTOKINASE 3
(Escherichia
coli) 		5 / 12 GLY A 200
ARG A 269
GLU A 210
ALA A 206
LEU A 207
 ASP  A 502 (-4.2A)
None
None
None
None
 1.15A 1mjqC-2j0wA:
undetectable
1mjqD-2j0wA:
undetectable		 1mjqC-2j0wA:
13.90
1mjqD-2j0wA:
13.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MJQ_J_SAMJ200_0
(METHIONINE REPRESSOR)		 2j0w LYSINE-SENSITIVE
ASPARTOKINASE 3
(Escherichia
coli) 		5 / 12 GLY A 200
ARG A 269
GLU A 210
ALA A 206
LEU A 207
 ASP  A 502 (-4.2A)
None
None
None
None
 1.15A 1mjqI-2j0wA:
0.2
1mjqJ-2j0wA:
undetectable		 1mjqI-2j0wA:
13.90
1mjqJ-2j0wA:
13.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MXD_A_ACRA733_1
(ALPHA AMYLASE)		 4mwt LYSOSOMAL PROTECTIVE
PROTEIN
(Homo
sapiens) 		4 / 6 SER A 181
ASN A 186
LEU A 190
ASP A 187
 SER  A 181 ( 0.0A)
ASN  A 186 ( 0.6A)
LEU  A 190 ( 0.6A)
ASP  A 187 ( 0.6A)
 1.16A 1mxdA-4mwtA:
undetectable		 1mxdA-4mwtA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MXG_A_ACRA443_1
(ALPHA AMYLASE)		 2qc5 STREPTOGRAMIN B
LACTONASE
(Staphylococcus
cohnii) 		4 / 8 SER A  99
LEU A 136
ASP A 120
GLU A 175
 SER  A  99 ( 0.0A)
LEU  A 136 ( 0.6A)
ASP  A 120 ( 0.5A)
GLU  A 175 ( 0.6A)
 1.21A 1mxgA-2qc5A:
undetectable		 1mxgA-2qc5A:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MXG_A_ACRA443_1
(ALPHA AMYLASE)		 4mwt LYSOSOMAL PROTECTIVE
PROTEIN
(Homo
sapiens) 		4 / 8 SER A 181
ASN A 186
LEU A 190
ASP A 187
 SER  A 181 ( 0.0A)
ASN  A 186 ( 0.6A)
LEU  A 190 ( 0.6A)
ASP  A 187 ( 0.6A)
 1.12A 1mxgA-4mwtA:
undetectable		 1mxgA-4mwtA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NBI_C_SAMC2293_0
(GLYCINE
N-METHYLTRANSFERASE)		 2hmf PROBABLE
ASPARTOKINASE
(Methanocaldococc
us
jannaschii) 		5 / 12 GLY A 195
THR A 203
ALA A 156
GLY A 209
SER A 213
 None
None
None
ASP  A 502 (-4.2A)
None
 0.96A 1nbiC-2hmfA:
undetectable		 1nbiC-2hmfA:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NBI_D_SAMD3293_0
(GLYCINE
N-METHYLTRANSFERASE)		 2hmf PROBABLE
ASPARTOKINASE
(Methanocaldococc
us
jannaschii) 		5 / 12 GLY A 195
THR A 203
ALA A 156
GLY A 209
SER A 213
 None
None
None
ASP  A 502 (-4.2A)
None
 0.98A 1nbiD-2hmfA:
undetectable		 1nbiD-2hmfA:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NT2_A_SAMA301_0
(FIBRILLARIN-LIKE
PRE-RRNA PROCESSING
PROTEIN)		 1ryn PROTEIN CRS2
(Zea
mays) 		5 / 12 GLY A 136
SER A 139
ALA A 165
ASP A  95
ILE A 135
 GLY  A 136 ( 0.0A)
SER  A 139 ( 0.0A)
ALA  A 165 ( 0.0A)
ASP  A  95 ( 0.6A)
ILE  A 135 ( 0.7A)
 1.12A 1nt2A-1rynA:
undetectable		 1nt2A-1rynA:
24.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NW5_A_SAMA401_0
(MODIFICATION
METHYLASE RSRI)		 2vbf BRANCHED-CHAIN
ALPHA-KETOACID
DECARBOXYLASE
(Lactococcus
lactis) 		5 / 12 ASP A 274
PRO A 235
LYS A 342
SER A 265
ALA A 273
 ASP  A 274 ( 0.6A)
PRO  A 235 ( 1.1A)
LYS  A 342 ( 0.0A)
SER  A 265 ( 0.0A)
ALA  A 273 ( 0.0A)
 1.27A 1nw5A-2vbfA:
undetectable		 1nw5A-2vbfA:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1O76_B_CAMB1420_0
(CYTOCHROME P450-CAM)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 8 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 0.96A 1o76B-5lmxC:
undetectable		 1o76B-5lmxC:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1O86_A_LPRA702_1
(ANGIOTENSIN
CONVERTING ENZYME)		 1y79 PEPTIDYL-DIPEPTIDASE
DCP
(Escherichia
coli) 		7 / 12 HIS 1 469
GLU 1 470
HIS 1 473
GLU 1 498
HIS 1 601
TYR 1 611
TYR 1 614
 ZN  1 700 (-3.2A)
TRP  1 702 ( 2.6A)
ZN  1 700 ( 3.3A)
ZN  1 700 ( 2.2A)
TRP  1 702 ( 3.8A)
ASP  1 704 (-4.7A)
ASP  1 704 (-3.5A)
 0.32A 1o86A-1y791:
20.5		 1o86A-1y791:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PG2_A_ADNA552_1
(METHIONYL-TRNA
SYNTHETASE)		 4oud TYROSYL-TRNA
SYNTHETASE
(Escherichia
coli) 		5 / 11 HIS B  48
GLY B  50
HIS B  51
GLY B 198
ASP B 200
 HIS  B  48 ( 1.0A)
GLY  B  50 ( 0.0A)
HIS  B  51 ( 1.0A)
GLY  B 198 ( 0.0A)
ASP  B 200 ( 0.6A)
 0.75A 1pg2A-4oudB:
8.2		 1pg2A-4oudB:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PK2_A_ACAA91_1
(TISSUE-TYPE
PLASMINOGEN
ACTIVATOR)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		4 / 8 TYR A 538
ASP A 540
ASP A 542
LEU A 608
 TYR  A 538 ( 1.3A)
ASP  A 540 (-0.5A)
ASP  A 542 ( 0.5A)
LEU  A 608 ( 0.5A)
 1.19A 1pk2A-4flxA:
undetectable		 1pk2A-4flxA:
6.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QFT_A_HSMA177_1
(PROTEIN
(FEMALE-SPECIFIC
HISTAMINE BINDING
PROTEIN 2))		 2v25 MAJOR CELL-BINDING
FACTOR
(Campylobacter
jejuni) 		5 / 10 TYR A 156
GLU A  39
TYR A 198
ASP A 174
VAL A 173
 ASP  A1234 (-4.5A)
None
None
ASP  A1234 (-2.8A)
None
 1.47A 1qftA-2v25A:
0.0		 1qftA-2v25A:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QFT_B_HSMB177_1
(PROTEIN
(FEMALE-SPECIFIC
HISTAMINE BINDING
PROTEIN 2))		 2v25 MAJOR CELL-BINDING
FACTOR
(Campylobacter
jejuni) 		5 / 10 TYR A 156
GLU A  39
TYR A 198
ASP A 174
VAL A 173
 ASP  A1234 (-4.5A)
None
None
ASP  A1234 (-2.8A)
None
 1.47A 1qftB-2v25A:
0.0		 1qftB-2v25A:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QFV_A_HSMA176_1
(PROTEIN
(FEMALE-SPECIFIC
HISTAMINE BINDING
PROTEIN 2))		 2v25 MAJOR CELL-BINDING
FACTOR
(Campylobacter
jejuni) 		5 / 10 TYR A 156
GLU A  39
TYR A 198
ASP A 174
VAL A 173
 ASP  A1234 (-4.5A)
None
None
ASP  A1234 (-2.8A)
None
 1.46A 1qfvA-2v25A:
0.0		 1qfvA-2v25A:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QFV_B_HSMB176_1
(PROTEIN
(FEMALE-SPECIFIC
HISTAMINE BINDING
PROTEIN 2))		 2v25 MAJOR CELL-BINDING
FACTOR
(Campylobacter
jejuni) 		5 / 10 TYR A 156
GLU A  39
TYR A 198
ASP A 174
VAL A 173
 ASP  A1234 (-4.5A)
None
None
ASP  A1234 (-2.8A)
None
 1.46A 1qfvB-2v25A:
0.0		 1qfvB-2v25A:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QTI_A_GNTA600_1
(ACETYLCHOLINESTERASE)		 4mwt LYSOSOMAL PROTECTIVE
PROTEIN
(Homo
sapiens) 		6 / 12 ASP A 300
GLY A  56
GLY A  57
GLU A 149
SER A 150
HIS A 429
 ASP  A 300 ( 0.6A)
GLY  A  56 ( 0.0A)
GLY  A  57 ( 0.0A)
GLU  A 149 ( 0.5A)
SER  A 150 ( 0.0A)
HIS  A 429 ( 1.0A)
 1.14A 1qtiA-4mwtA:
9.6		 1qtiA-4mwtA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QU2_A_MRCA1993_1
(ISOLEUCYL-TRNA
SYNTHETASE)		 4oud TYROSYL-TRNA
SYNTHETASE
(Escherichia
coli) 		5 / 12 GLY B  50
HIS B  48
GLY B 198
ASP B 200
GLN B 201
 GLY  B  50 ( 0.0A)
HIS  B  48 ( 1.0A)
GLY  B 198 ( 0.0A)
ASP  B 200 ( 0.6A)
GLN  B 201 ( 0.6A)
 1.02A 1qu2A-4oudB:
5.1		 1qu2A-4oudB:
17.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QU2_A_MRCA1993_1
(ISOLEUCYL-TRNA
SYNTHETASE)		 4oud TYROSYL-TRNA
SYNTHETASE
(Escherichia
coli) 		6 / 12 HIS B  48
GLY B  50
HIS B  51
GLY B 198
ASP B 200
GLN B 201
 HIS  B  48 ( 1.0A)
GLY  B  50 ( 0.0A)
HIS  B  51 ( 1.0A)
GLY  B 198 ( 0.0A)
ASP  B 200 ( 0.6A)
GLN  B 201 ( 0.6A)
 0.82A 1qu2A-4oudB:
5.1		 1qu2A-4oudB:
17.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QU3_A_MRCA993_1
(ISOLEUCYL-TRNA
SYNTHETASE)		 4oud TYROSYL-TRNA
SYNTHETASE
(Escherichia
coli) 		5 / 12 HIS B  48
GLY B  50
HIS B  51
ASP B 200
GLN B 201
 HIS  B  48 ( 1.0A)
GLY  B  50 ( 0.0A)
HIS  B  51 ( 1.0A)
ASP  B 200 ( 0.6A)
GLN  B 201 ( 0.6A)
 0.88A 1qu3A-4oudB:
undetectable		 1qu3A-4oudB:
17.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RJD_A_SAMA801_1
(CARBOXY METHYL
TRANSFERASE FOR
PROTEIN PHOSPHATASE
2A CATALYTIC SUBUNIT)		 2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50
(Geobacillus
stearothermophil
us) 		4 / 6 TYR A 390
ASP A 454
ASN A 456
GLU A 412
 TYR  A 390 ( 1.3A)
ASP  A 454 ( 0.6A)
ASN  A 456 ( 0.6A)
GLU  A 412 ( 0.6A)
 1.03A 1rjdA-2ogsA:
2.7		 1rjdA-2ogsA:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RJD_A_SAMA801_1
(CARBOXY METHYL
TRANSFERASE FOR
PROTEIN PHOSPHATASE
2A CATALYTIC SUBUNIT)		 3o96 RAC-ALPHA
SERINE/THREONINE-PRO
TEIN KINASE
(Homo
sapiens) 		4 / 6 ASP A 331
TYR A 272
ASN A 279
GLU A 319
 ASP  A 331 ( 0.6A)
TYR  A 272 (-1.3A)
ASN  A 279 ( 0.6A)
GLU  A 319 ( 0.5A)
 1.28A 1rjdA-3o96A:
undetectable		 1rjdA-3o96A:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RJD_B_SAMB802_1
(CARBOXY METHYL
TRANSFERASE FOR
PROTEIN PHOSPHATASE
2A CATALYTIC SUBUNIT)		 2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50
(Geobacillus
stearothermophil
us) 		4 / 6 TYR A 390
ASP A 454
ASN A 456
GLU A 412
 TYR  A 390 ( 1.3A)
ASP  A 454 ( 0.6A)
ASN  A 456 ( 0.6A)
GLU  A 412 ( 0.6A)
 1.02A 1rjdB-2ogsA:
2.4		 1rjdB-2ogsA:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RJD_B_SAMB802_1
(CARBOXY METHYL
TRANSFERASE FOR
PROTEIN PHOSPHATASE
2A CATALYTIC SUBUNIT)		 3o96 RAC-ALPHA
SERINE/THREONINE-PRO
TEIN KINASE
(Homo
sapiens) 		4 / 6 ASP A 331
TYR A 272
ASN A 279
GLU A 319
 ASP  A 331 ( 0.6A)
TYR  A 272 (-1.3A)
ASN  A 279 ( 0.6A)
GLU  A 319 ( 0.5A)
 1.28A 1rjdB-3o96A:
undetectable		 1rjdB-3o96A:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RJD_C_SAMC803_1
(CARBOXY METHYL
TRANSFERASE FOR
PROTEIN PHOSPHATASE
2A CATALYTIC SUBUNIT)		 2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50
(Geobacillus
stearothermophil
us) 		4 / 6 TYR A 390
ASP A 454
ASN A 456
GLU A 412
 TYR  A 390 ( 1.3A)
ASP  A 454 ( 0.6A)
ASN  A 456 ( 0.6A)
GLU  A 412 ( 0.6A)
 1.05A 1rjdC-2ogsA:
3.0		 1rjdC-2ogsA:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RJD_C_SAMC803_1
(CARBOXY METHYL
TRANSFERASE FOR
PROTEIN PHOSPHATASE
2A CATALYTIC SUBUNIT)		 3o96 RAC-ALPHA
SERINE/THREONINE-PRO
TEIN KINASE
(Homo
sapiens) 		4 / 6 ASP A 331
TYR A 272
ASN A 279
GLU A 319
 ASP  A 331 ( 0.6A)
TYR  A 272 (-1.3A)
ASN  A 279 ( 0.6A)
GLU  A 319 ( 0.5A)
 1.28A 1rjdC-3o96A:
undetectable		 1rjdC-3o96A:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RLB_E_REAE176_1
(RETINOL BINDING
PROTEIN)		 3i4k MUCONATE LACTONIZING
ENZYME
(Corynebacterium
glutamicum) 		5 / 10 LEU A 305
ALA A 143
LEU A 330
ASP A 251
PHE A  26
 LEU  A 305 ( 0.6A)
ALA  A 143 ( 0.0A)
LEU  A 330 ( 0.6A)
ASP  A 251 ( 0.6A)
PHE  A  26 ( 1.3A)
 1.30A 1rlbE-3i4kA:
undetectable		 1rlbE-3i4kA:
18.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RMT_C_ADNC1503_1
(CLASS B ACID
PHOSPHATASE)		 1aoa T-FIMBRIN
(Homo
sapiens) 		4 / 8 PHE A 369
LEU A 341
GLY A 348
ASP A 345
 PHE  A 369 ( 1.3A)
LEU  A 341 ( 0.6A)
GLY  A 348 ( 0.0A)
ASP  A 345 ( 0.6A)
 1.02A 1rmtC-1aoaA:
undetectable		 1rmtC-1aoaA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RTS_A_D16A309_1
(THYMIDYLATE SYNTHASE)		 1omo ALANINE
DEHYDROGENASE
(Archaeoglobus
fulgidus) 		4 / 8 PHE A 288
ILE A 268
ASP A 277
GLY A 278
 PHE  A 288 ( 1.3A)
ILE  A 268 ( 0.3A)
ASP  A 277 ( 0.5A)
GLY  A 278 ( 0.0A)
 0.86A 1rtsA-1omoA:
undetectable		 1rtsA-1omoA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S3Z_B_RIOB501_0
(AMINOGLYCOSIDE
6'-N-ACETYLTRANSFERA
SE)		 3i4k MUCONATE LACTONIZING
ENZYME
(Corynebacterium
glutamicum) 		4 / 8 GLU A 329
HIS A 279
GLU A 252
ASP A 200
 GLU  A 329 ( 0.6A)
HIS  A 279 ( 1.0A)
GLU  A 252 ( 0.6A)
ASP  A 200 ( 0.6A)
 1.22A 1s3zA-3i4kA:
1.9
1s3zB-3i4kA:
1.9		 1s3zA-3i4kA:
17.51
1s3zB-3i4kA:
17.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S3Z_B_RIOB501_0
(AMINOGLYCOSIDE
6'-N-ACETYLTRANSFERA
SE)		 4pas GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1
GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 2
(Homo
sapiens;
Homo
sapiens) 		4 / 8 GLU A 789
VAL A 792
HIS B 797
ASP B 808
 GLU  A 789 ( 0.6A)
VAL  A 792 ( 0.6A)
HIS  B 797 ( 1.0A)
ASP  B 808 ( 0.6A)
 1.10A 1s3zA-4pasA:
undetectable
1s3zB-4pasA:
undetectable		 1s3zA-4pasA:
11.04
1s3zB-4pasA:
11.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SDV_B_MK1B902_2
(PROTEASE RETROPEPSIN)		 5nks DIHYDROPYRIMIDINASE-
RELATED PROTEIN 4
(Homo
sapiens) 		6 / 11 GLY A  46
ALA A  33
ASP A  34
VAL A  65
ILE A  19
ILE A  24
 GLY  A  46 ( 0.0A)
ALA  A  33 ( 0.0A)
ASP  A  34 ( 0.6A)
VAL  A  65 ( 0.6A)
ILE  A  19 ( 0.7A)
ILE  A  24 ( 0.7A)
 1.32A 1sdvB-5nksA:
undetectable		 1sdvB-5nksA:
9.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SG9_A_SAMA301_1
(HEMK PROTEIN)		 5d7w SERRALYSIN
(Serratia
marcescens) 		4 / 4 THR A 272
GLY A 333
ASP A 338
ALA A 299
 THR  A 272 ( 0.8A)
GLY  A 333 ( 0.0A)
ASP  A 338 (-0.5A)
ALA  A 299 ( 0.0A)
 1.25A 1sg9A-5d7wA:
undetectable		 1sg9A-5d7wA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SG9_A_SAMA301_1
(HEMK PROTEIN)		 5d7w SERRALYSIN
(Serratia
marcescens) 		4 / 4 THR A 272
GLY A 334
ASP A 338
ALA A 299
 THR  A 272 ( 0.8A)
GLY  A 334 (-0.0A)
ASP  A 338 (-0.5A)
ALA  A 299 ( 0.0A)
 0.90A 1sg9A-5d7wA:
undetectable		 1sg9A-5d7wA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SGU_B_MK1B2632_1
(POL POLYPROTEIN)		 2f5x BUGD
(Bordetella
pertussis) 		5 / 8 ALA A 138
GLY A  48
GLY A  47
ILE A 135
ALA A 131
 ASP  A 901 (-3.5A)
None
None
None
None
 1.10A 1sguA-2f5xA:
undetectable		 1sguA-2f5xA:
15.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SH9_B_RITB301_1
(POL POLYPROTEIN)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		5 / 8 ALA A 429
ASP A 430
ILE A 423
ILE A 390
ILE A 362
 ALA  A 429 ( 0.0A)
ASP  A 430 ( 0.5A)
ILE  A 423 ( 0.7A)
ILE  A 390 ( 0.7A)
ILE  A 362 ( 0.4A)
 1.18A 1sh9A-2nvvA:
undetectable		 1sh9A-2nvvA:
9.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SQF_A_SAMA430_0
(SUN PROTEIN)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		5 / 12 GLY A 141
GLY A  30
ASP A 381
GLY A 378
PRO A  82
 GLY  A 141 ( 0.0A)
GLY  A  30 ( 0.0A)
ASP  A 381 ( 0.6A)
GLY  A 378 ( 0.0A)
PRO  A  82 ( 1.1A)
 0.96A 1sqfA-2nvvA:
undetectable		 1sqfA-2nvvA:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T7I_A_017A200_2
(POL POLYPROTEIN)		 1fgv H52 FV (HEAVY CHAIN)
(Homo
sapiens) 		4 / 7 ASP H  62
VAL H  64
GLY H  50
ILE H  51
 ASP  H  62 ( 0.5A)
VAL  H  64 ( 0.6A)
GLY  H  50 ( 0.0A)
ILE  H  51 ( 0.7A)
 0.75A 1t7iB-1fgvH:
undetectable		 1t7iB-1fgvH:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T85_A_CAMA422_0
(CYTOCHROME P450-CAM)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 7 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 1.01A 1t85A-5lmxC:
undetectable		 1t85A-5lmxC:
22.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T87_A_CAMA1422_0
(CYTOCHROME P450-CAM)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 7 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 1.00A 1t87A-5lmxC:
undetectable		 1t87A-5lmxC:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1U18_A_HSMA401_1
(NITROPHORIN 1)		 6ezy -
(-) 		4 / 4 ASP A 165
LEU A  99
LEU A 163
LEU A 156
 ASP  A 165 ( 0.5A)
LEU  A  99 ( 0.5A)
LEU  A 163 ( 0.6A)
LEU  A 156 ( 0.6A)
 1.36A 1u18A-6ezyA:
undetectable		 1u18A-6ezyA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UPF_C_URFC999_1
(URACIL
PHOSPHORIBOSYLTRANSF
ERASE)		 5w6l RTX
REPEAT-CONTAINING
CYTOTOXIN
(Vibrio
vulnificus) 		4 / 5 MET A3999
ALA A4004
ILE A3848
ASP A3721
 TYR  A4000 ( 3.4A)
ALA  A4004 ( 0.0A)
ILE  A3848 ( 0.7A)
ASP  A3721 ( 0.6A)
 1.15A 1upfC-5w6lA:
undetectable		 1upfC-5w6lA:
15.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1USQ_A_CLMA1143_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 5jxf ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE
(Flavobacterium
psychrophilum) 		4 / 7 GLY A 269
PRO A 268
THR A  68
GLY A 642
 None
None
None
ASP  A 802 (-3.8A)
 0.81A 1usqA-5jxfA:
undetectable		 1usqA-5jxfA:
12.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UTD_O_TRPO81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 4o48 UNCHARACTERIZED
PROTEIN
(Cavia
porcellus) 		5 / 12 GLY A 188
THR A 219
ILE A 189
GLY A   9
ALA A  12
 ASP  A 402 (-3.6A)
ASP  A 402 (-3.7A)
ASP  A 402 (-4.5A)
None
None
 1.04A 1utdO-4o48A:
0.4
1utdP-4o48A:
0.4		 1utdO-4o48A:
14.56
1utdP-4o48A:
14.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UWJ_A_BAXA1723_2
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 2v25 MAJOR CELL-BINDING
FACTOR
(Campylobacter
jejuni) 		4 / 7 ILE A  80
LYS A  19
ILE A 188
ASP A 174
 None
ASP  A1234 (-2.9A)
None
ASP  A1234 (-2.8A)
 0.81A 1uwjA-2v25A:
undetectable		 1uwjA-2v25A:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UWJ_B_BAXB1723_2
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 5cdn DNA GYRASE SUBUNIT A
(Staphylococcus
aureus) 		3 / 3 ILE A 230
ASP A 217
PHE A 218
 ILE  A 230 ( 0.7A)
ASP  A 217 ( 0.5A)
PHE  A 218 ( 1.3A)
 0.57A 1uwjB-5cdnA:
1.8		 1uwjB-5cdnA:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UYU_B_CAMB1416_0
(CYTOCHROME P450-CAM)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 8 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 0.93A 1uyuB-5lmxC:
undetectable		 1uyuB-5lmxC:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VQ1_A_SAMA301_1
(N5-GLUTAMINE
METHYLTRANSFERASE,
HEMK)		 4g41 MTA/SAH NUCLEOSIDASE
(Streptococcus
pyogenes) 		3 / 3 GLY A 143
ASP A  93
ASN A 167
 GLY  A 143 ( 0.0A)
ASP  A  93 ( 0.6A)
ASN  A 167 ( 0.6A)
 0.62A 1vq1A-4g41A:
undetectable		 1vq1A-4g41A:
23.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W76_A_GNTA1538_1
(ACETYLCHOLINESTERASE)		 4mwt LYSOSOMAL PROTECTIVE
PROTEIN
(Homo
sapiens) 		5 / 11 ASP A 300
GLY A  57
GLU A 149
SER A 150
HIS A 429
 ASP  A 300 ( 0.6A)
GLY  A  57 ( 0.0A)
GLU  A 149 ( 0.5A)
SER  A 150 ( 0.0A)
HIS  A 429 ( 1.0A)
 1.03A 1w76A-4mwtA:
13.1		 1w76A-4mwtA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W76_B_GNTB1538_1
(ACETYLCHOLINESTERASE)		 4mwt LYSOSOMAL PROTECTIVE
PROTEIN
(Homo
sapiens) 		5 / 10 ASP A 300
GLY A  56
GLY A  57
SER A 150
HIS A 429
 ASP  A 300 ( 0.6A)
GLY  A  56 ( 0.0A)
GLY  A  57 ( 0.0A)
SER  A 150 ( 0.0A)
HIS  A 429 ( 1.0A)
 1.00A 1w76B-4mwtA:
13.4		 1w76B-4mwtA:
21.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1WSV_A_THHA3001_1
(AMINOMETHYLTRANSFERA
SE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		3 / 3 ASP A 101
GLU A 204
TYR A 371
 ASP  A 101 (-0.6A)
GLU  A 204 (-0.5A)
TYR  A 371 (-1.3A)
 0.02A 1wsvA-1wsvA:
66.6		 1wsvA-1wsvA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1WSV_B_THHB4001_1
(AMINOMETHYLTRANSFERA
SE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		4 / 4 ASP A 101
GLU A 204
ARG A 233
TYR A 371
 ASP  A 101 (-0.6A)
GLU  A 204 (-0.5A)
ARG  A 233 (-0.6A)
TYR  A 371 (-1.3A)
 0.23A 1wsvB-1wsvA:
62.3		 1wsvB-1wsvA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XKK_A_FMMA91_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 5d7a TRAF2 AND
NCK-INTERACTING
PROTEIN KINASE
(Homo
sapiens) 		5 / 12 ALA A  52
GLY A 111
LEU A 160
ASP A 171
PHE A 172
 ALA  A  52 (-0.0A)
GLY  A 111 (-0.0A)
LEU  A 160 (-0.6A)
ASP  A 171 ( 0.5A)
PHE  A 172 ( 1.3A)
 0.51A 1xkkA-5d7aA:
24.8		 1xkkA-5d7aA:
25.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XMU_A_ROFA101_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		12 / 12 TYR A 159
HIS A 160
ASP A 318
LEU A 319
PRO A 322
TYR A 329
TRP A 332
ILE A 336
PHE A 340
MET A 357
SER A 368
PHE A 372
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
ASP  A 318 (-0.5A)
LEU  A 319 ( 0.6A)
PRO  A 322 (-1.1A)
TYR  A 329 (-1.3A)
TRP  A 332 ( 0.5A)
ILE  A 336 ( 0.4A)
PHE  A 340 (-1.3A)
MET  A 357 (-0.0A)
SER  A 368 (-0.0A)
PHE  A 372 (-1.3A)
 0.61A 1xmuA-3sl5A:
51.4		 1xmuA-3sl5A:
84.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XMU_B_ROFB102_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		12 / 12 TYR A 159
HIS A 160
MET A 273
ASP A 318
LEU A 319
PRO A 322
TYR A 329
TRP A 332
ILE A 336
PHE A 340
MET A 357
SER A 368
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
MET  A 273 (-0.0A)
ASP  A 318 (-0.5A)
LEU  A 319 ( 0.6A)
PRO  A 322 (-1.1A)
TYR  A 329 (-1.3A)
TRP  A 332 ( 0.5A)
ILE  A 336 ( 0.4A)
PHE  A 340 (-1.3A)
MET  A 357 (-0.0A)
SER  A 368 (-0.0A)
 0.44A 1xmuB-3sl5A:
51.1		 1xmuB-3sl5A:
84.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XOM_A_CIOA603_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		6 / 12 TYR A 159
ASP A 201
ILE A 336
MET A 337
PHE A 340
MET A 357
 TYR  A 159 (-1.3A)
ASP  A 201 ( 0.5A)
ILE  A 336 ( 0.4A)
MET  A 337 ( 0.0A)
PHE  A 340 (-1.3A)
MET  A 357 (-0.0A)
 1.47A 1xomA-3sl5A:
53.0		 1xomA-3sl5A:
94.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XOM_A_CIOA603_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		12 / 12 TYR A 159
HIS A 160
MET A 273
ASP A 318
LEU A 319
ILE A 336
MET A 337
PHE A 340
MET A 357
SER A 368
GLN A 369
PHE A 372
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
MET  A 273 (-0.0A)
ASP  A 318 (-0.5A)
LEU  A 319 ( 0.6A)
ILE  A 336 ( 0.4A)
MET  A 337 ( 0.0A)
PHE  A 340 (-1.3A)
MET  A 357 (-0.0A)
SER  A 368 (-0.0A)
GLN  A 369 (-0.6A)
PHE  A 372 (-1.3A)
 0.57A 1xomA-3sl5A:
53.0		 1xomA-3sl5A:
94.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XOQ_A_ROFA502_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		11 / 12 TYR A 159
HIS A 160
MET A 273
ASP A 318
LEU A 319
PRO A 322
TYR A 329
THR A 333
ILE A 336
MET A 357
SER A 368
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
MET  A 273 (-0.0A)
ASP  A 318 (-0.5A)
LEU  A 319 ( 0.6A)
PRO  A 322 (-1.1A)
TYR  A 329 (-1.3A)
THR  A 333 ( 0.8A)
ILE  A 336 ( 0.4A)
MET  A 357 (-0.0A)
SER  A 368 (-0.0A)
 0.54A 1xoqA-3sl5A:
53.5		 1xoqA-3sl5A:
94.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XOQ_A_ROFA502_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		11 / 12 TYR A 159
HIS A 160
MET A 273
ASP A 318
LEU A 319
PRO A 322
TYR A 329
THR A 333
ILE A 336
SER A 368
PHE A 372
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
MET  A 273 (-0.0A)
ASP  A 318 (-0.5A)
LEU  A 319 ( 0.6A)
PRO  A 322 (-1.1A)
TYR  A 329 (-1.3A)
THR  A 333 ( 0.8A)
ILE  A 336 ( 0.4A)
SER  A 368 (-0.0A)
PHE  A 372 (-1.3A)
 0.52A 1xoqA-3sl5A:
53.5		 1xoqA-3sl5A:
94.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XOQ_B_ROFB501_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		11 / 12 TYR A 159
HIS A 160
ASP A 318
LEU A 319
PRO A 322
TYR A 329
TRP A 332
THR A 333
ILE A 336
MET A 357
SER A 368
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
ASP  A 318 (-0.5A)
LEU  A 319 ( 0.6A)
PRO  A 322 (-1.1A)
TYR  A 329 (-1.3A)
TRP  A 332 ( 0.5A)
THR  A 333 ( 0.8A)
ILE  A 336 ( 0.4A)
MET  A 357 (-0.0A)
SER  A 368 (-0.0A)
 0.49A 1xoqB-3sl5A:
53.4		 1xoqB-3sl5A:
94.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XOQ_B_ROFB501_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		11 / 12 TYR A 159
HIS A 160
ASP A 318
LEU A 319
PRO A 322
TYR A 329
TRP A 332
THR A 333
ILE A 336
SER A 368
PHE A 372
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
ASP  A 318 (-0.5A)
LEU  A 319 ( 0.6A)
PRO  A 322 (-1.1A)
TYR  A 329 (-1.3A)
TRP  A 332 ( 0.5A)
THR  A 333 ( 0.8A)
ILE  A 336 ( 0.4A)
SER  A 368 (-0.0A)
PHE  A 372 (-1.3A)
 0.50A 1xoqB-3sl5A:
53.4		 1xoqB-3sl5A:
94.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XOS_A_VIAA1_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		11 / 12 TYR A 159
HIS A 160
MET A 273
ASP A 318
LEU A 319
MET A 337
PHE A 340
MET A 357
GLN A 369
PHE A 372
ILE A 376
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
MET  A 273 (-0.0A)
ASP  A 318 (-0.5A)
LEU  A 319 ( 0.6A)
MET  A 337 ( 0.0A)
PHE  A 340 (-1.3A)
MET  A 357 (-0.0A)
GLN  A 369 (-0.6A)
PHE  A 372 (-1.3A)
ILE  A 376 (-0.6A)
 0.48A 1xosA-3sl5A:
51.3		 1xosA-3sl5A:
84.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XOS_A_VIAA1_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		10 / 12 TYR A 159
HIS A 160
MET A 273
ASP A 318
LEU A 319
MET A 337
PHE A 340
SER A 355
GLN A 369
PHE A 372
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
MET  A 273 (-0.0A)
ASP  A 318 (-0.5A)
LEU  A 319 ( 0.6A)
MET  A 337 ( 0.0A)
PHE  A 340 (-1.3A)
SER  A 355 ( 0.0A)
GLN  A 369 (-0.6A)
PHE  A 372 (-1.3A)
 1.02A 1xosA-3sl5A:
51.3		 1xosA-3sl5A:
84.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YRC_A_CAMA420_0
(CYTOCHROME P450-CAM)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 7 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 0.99A 1yrcA-5lmxC:
undetectable		 1yrcA-5lmxC:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YRD_A_CAMA420_0
(CYTOCHROME P450-CAM)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 7 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 0.97A 1yrdA-5lmxC:
undetectable		 1yrdA-5lmxC:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZWP_A_NIMA401_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		 3l4f SH3 AND MULTIPLE
ANKYRIN REPEAT
DOMAINS PROTEIN 1
(Rattus
norvegicus) 		4 / 5 LEU D 666
GLY D 715
TRP D 712
ASP D 720
 LEU  D 666 ( 0.6A)
GLY  D 715 ( 0.0A)
TRP  D 712 ( 0.5A)
ASP  D 720 ( 0.6A)
 1.12A 1zwpA-3l4fD:
0.0		 1zwpA-3l4fD:
19.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3A_A_TEPA1433_1
(CHITINASE)		 5gpr CHITINASE
(Ostrinia
furnacalis) 		10 / 11 TYR A 156
PHE A 184
GLY A 267
ASP A 306
GLU A 308
MET A 381
TYR A 383
ASP A 384
TYR A 437
TRP A 532
 TYR  A 156 ( 1.3A)
PHE  A 184 ( 1.3A)
GLY  A 267 ( 0.0A)
ASP  A 306 ( 0.5A)
GLU  A 308 ( 0.6A)
MET  A 381 ( 0.0A)
TYR  A 383 ( 1.3A)
ASP  A 384 ( 0.5A)
TYR  A 437 ( 1.3A)
TRP  A 532 ( 0.5A)
 0.39A 2a3aA-5gprA:
12.4		 2a3aA-5gprA:
27.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3A_A_TEPA1433_1
(CHITINASE)		 5gpr CHITINASE
(Ostrinia
furnacalis) 		8 / 11 TYR A 156
PHE A 184
GLY A 267
TRP A 268
ASP A 306
GLU A 308
MET A 381
TRP A 532
 TYR  A 156 ( 1.3A)
PHE  A 184 ( 1.3A)
GLY  A 267 ( 0.0A)
TRP  A 268 ( 0.5A)
ASP  A 306 ( 0.5A)
GLU  A 308 ( 0.6A)
MET  A 381 ( 0.0A)
TRP  A 532 ( 0.5A)
 0.65A 2a3aA-5gprA:
12.4		 2a3aA-5gprA:
27.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3A_A_TEPA1436_1
(CHITINASE)		 1txu RAB5 GDP/GTP
EXCHANGE FACTOR
(Homo
sapiens) 		3 / 3 ASP A 279
PHE A 224
ARG A 330
 ASP  A 279 ( 0.6A)
PHE  A 224 ( 1.3A)
ARG  A 330 ( 0.6A)
 0.82A 2a3aA-1txuA:
undetectable		 2a3aA-1txuA:
18.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3A_A_TEPA1436_1
(CHITINASE)		 3r9r PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE
(Mycobacteroides
abscessus) 		3 / 3 ASP A  48
PHE A 289
ARG A  51
 ASP  A  48 ( 0.6A)
PHE  A 289 ( 1.3A)
ARG  A  51 ( 0.6A)
 0.85A 2a3aA-3r9rA:
undetectable		 2a3aA-3r9rA:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3A_B_TEPB2433_1
(CHITINASE)		 5gpr CHITINASE
(Ostrinia
furnacalis) 		8 / 9 PHE A 184
GLY A 267
GLU A 308
MET A 381
TYR A 383
ASP A 384
TYR A 437
TRP A 532
 PHE  A 184 ( 1.3A)
GLY  A 267 ( 0.0A)
GLU  A 308 ( 0.6A)
MET  A 381 ( 0.0A)
TYR  A 383 ( 1.3A)
ASP  A 384 ( 0.5A)
TYR  A 437 ( 1.3A)
TRP  A 532 ( 0.5A)
 0.47A 2a3aB-5gprA:
43.1		 2a3aB-5gprA:
27.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3B_A_CFFA1435_1
(CHITINASE)		 5gpr CHITINASE
(Ostrinia
furnacalis) 		9 / 11 TYR A 156
PHE A 184
GLY A 267
TRP A 268
ASP A 306
GLU A 308
MET A 381
TYR A 383
TRP A 532
 TYR  A 156 ( 1.3A)
PHE  A 184 ( 1.3A)
GLY  A 267 ( 0.0A)
TRP  A 268 ( 0.5A)
ASP  A 306 ( 0.5A)
GLU  A 308 ( 0.6A)
MET  A 381 ( 0.0A)
TYR  A 383 ( 1.3A)
TRP  A 532 ( 0.5A)
 0.78A 2a3bA-5gprA:
43.0		 2a3bA-5gprA:
27.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3B_A_CFFA1435_1
(CHITINASE)		 5gpr CHITINASE
(Ostrinia
furnacalis) 		10 / 11 TYR A 156
PHE A 184
GLY A 267
TRP A 268
ASP A 306
MET A 381
TYR A 383
ASP A 384
TYR A 437
TRP A 532
 TYR  A 156 ( 1.3A)
PHE  A 184 ( 1.3A)
GLY  A 267 ( 0.0A)
TRP  A 268 ( 0.5A)
ASP  A 306 ( 0.5A)
MET  A 381 ( 0.0A)
TYR  A 383 ( 1.3A)
ASP  A 384 ( 0.5A)
TYR  A 437 ( 1.3A)
TRP  A 532 ( 0.5A)
 0.57A 2a3bA-5gprA:
43.0		 2a3bA-5gprA:
27.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3B_B_CFFB2435_1
(CHITINASE)		 5gpr CHITINASE
(Ostrinia
furnacalis) 		9 / 10 PHE A 184
GLY A 267
ASP A 306
GLU A 308
MET A 381
TYR A 383
ASP A 384
TYR A 437
TRP A 532
 PHE  A 184 ( 1.3A)
GLY  A 267 ( 0.0A)
ASP  A 306 ( 0.5A)
GLU  A 308 ( 0.6A)
MET  A 381 ( 0.0A)
TYR  A 383 ( 1.3A)
ASP  A 384 ( 0.5A)
TYR  A 437 ( 1.3A)
TRP  A 532 ( 0.5A)
 0.67A 2a3bB-5gprA:
43.1		 2a3bB-5gprA:
27.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3C_A_PNXA1434_1
(CHITINASE)		 5gpr CHITINASE
(Ostrinia
furnacalis) 		9 / 12 TYR A 156
TRP A 160
PHE A 184
GLY A 267
ASP A 306
GLU A 308
MET A 381
TYR A 383
TRP A 532
 TYR  A 156 ( 1.3A)
TRP  A 160 ( 0.5A)
PHE  A 184 ( 1.3A)
GLY  A 267 ( 0.0A)
ASP  A 306 ( 0.5A)
GLU  A 308 ( 0.6A)
MET  A 381 ( 0.0A)
TYR  A 383 ( 1.3A)
TRP  A 532 ( 0.5A)
 0.72A 2a3cA-5gprA:
12.4		 2a3cA-5gprA:
27.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3C_A_PNXA1434_1
(CHITINASE)		 5gpr CHITINASE
(Ostrinia
furnacalis) 		10 / 12 TYR A 156
TRP A 160
PHE A 184
GLY A 267
ASP A 306
MET A 381
TYR A 383
ASP A 384
TYR A 437
TRP A 532
 TYR  A 156 ( 1.3A)
TRP  A 160 ( 0.5A)
PHE  A 184 ( 1.3A)
GLY  A 267 ( 0.0A)
ASP  A 306 ( 0.5A)
MET  A 381 ( 0.0A)
TYR  A 383 ( 1.3A)
ASP  A 384 ( 0.5A)
TYR  A 437 ( 1.3A)
TRP  A 532 ( 0.5A)
 0.44A 2a3cA-5gprA:
12.4		 2a3cA-5gprA:
27.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3C_B_PNXB2433_1
(CHITINASE)		 5gpr CHITINASE
(Ostrinia
furnacalis) 		11 / 12 TRP A 160
PHE A 184
GLY A 267
THR A 269
ASP A 306
GLU A 308
MET A 381
TYR A 383
ASP A 384
TYR A 437
TRP A 532
 TRP  A 160 ( 0.5A)
PHE  A 184 ( 1.3A)
GLY  A 267 ( 0.0A)
THR  A 269 ( 0.8A)
ASP  A 306 ( 0.5A)
GLU  A 308 ( 0.6A)
MET  A 381 ( 0.0A)
TYR  A 383 ( 1.3A)
ASP  A 384 ( 0.5A)
TYR  A 437 ( 1.3A)
TRP  A 532 ( 0.5A)
 0.71A 2a3cB-5gprA:
43.1		 2a3cB-5gprA:
27.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A7Q_A_CFBA328_2
(DEOXYCYTIDINE KINASE)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		4 / 4 ILE A 248
ASP A 275
LEU A 270
ARG A 247
 ILE  A 248 ( 0.7A)
ASP  A 275 ( 0.5A)
LEU  A 270 ( 0.6A)
ARG  A 247 ( 0.6A)
 1.46A 2a7qA-2nvvA:
undetectable		 2a7qA-2nvvA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AOF_C_FRDC305_1
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		 4o48 UNCHARACTERIZED
PROTEIN
(Cavia
porcellus) 		4 / 5 ASP A 199
GLY A  10
ALA A 231
ILE A 225
 ASP  A 402 (-3.0A)
None
None
None
 0.96A 2aofA-4o48A:
undetectable		 2aofA-4o48A:
14.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AOH_C_FRDC305_1
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		 1wqa PHOSPHO-SUGAR MUTASE
(Pyrococcus
horikoshii) 		4 / 5 LEU A 310
ASP A 309
GLY A 330
ALA A 313
 LEU  A 310 ( 0.6A)
ASP  A 309 ( 0.5A)
GLY  A 330 ( 0.0A)
ALA  A 313 ( 0.0A)
 0.90A 2aohA-1wqaA:
undetectable		 2aohA-1wqaA:
14.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AOJ_C_FRDC305_2
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		 2jk0 L-ASPARAGINASE
(Pectobacterium
carotovorum) 		4 / 7 LEU A  73
GLY A  14
ILE A  16
VAL A  57
 None
ASP  A1328 (-3.2A)
None
None
 0.77A 2aojB-2jk0A:
undetectable		 2aojB-2jk0A:
16.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AOU_A_CQAA403_0
(HISTAMINE
N-METHYLTRANSFERASE)		 5gpr CHITINASE
(Ostrinia
furnacalis) 		4 / 8 LYS A 243
GLY A 247
PHE A 299
ASP A 127
 LYS  A 243 ( 0.0A)
GLY  A 247 ( 0.0A)
PHE  A 299 ( 1.3A)
ASP  A 127 ( 0.5A)
 1.03A 2aouA-5gprA:
undetectable		 2aouA-5gprA:
19.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AVD_A_SAMA501_0
(CATECHOL-O-METHYLTRA
NSFERASE)		 5d7w SERRALYSIN
(Serratia
marcescens) 		5 / 12 GLY A   5
PHE A 359
ALA A   3
ALA A   8
ASP A  11
 GLY  A   5 ( 0.0A)
PHE  A 359 ( 1.3A)
ALA  A   3 ( 0.0A)
ALA  A   8 ( 0.0A)
ASP  A  11 ( 0.5A)
 1.29A 2avdA-5d7wA:
undetectable		 2avdA-5d7wA:
19.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AVO_B_MK1B902_2
(POL POLYPROTEIN)		 5nks DIHYDROPYRIMIDINASE-
RELATED PROTEIN 4
(Homo
sapiens) 		6 / 12 GLY A  46
ALA A  33
ASP A  34
VAL A  65
ILE A  19
ILE A  24
 GLY  A  46 ( 0.0A)
ALA  A  33 ( 0.0A)
ASP  A  34 ( 0.6A)
VAL  A  65 ( 0.6A)
ILE  A  19 ( 0.7A)
ILE  A  24 ( 0.7A)
 1.31A 2avoB-5nksA:
undetectable		 2avoB-5nksA:
9.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AVS_B_MK1B902_3
(POL POLYPROTEIN)		 5nks DIHYDROPYRIMIDINASE-
RELATED PROTEIN 4
(Homo
sapiens) 		5 / 12 GLY A  21
ALA A  60
ASP A  59
VAL A 445
ILE A 411
 GLY  A  21 ( 0.0A)
ALA  A  60 ( 0.0A)
ASP  A  59 ( 0.6A)
VAL  A 445 ( 0.6A)
ILE  A 411 ( 0.7A)
 1.00A 2avsB-5nksA:
undetectable		 2avsB-5nksA:
10.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BDM_A_TMIA501_1
(CYTOCHROME P450 2B4)		 2zal L-ASPARAGINASE
(Escherichia
coli) 		4 / 7 SER B 211
GLY B 275
THR B 292
ILE A  15
 ASP  B 501 ( 3.8A)
None
None
None
 1.06A 2bdmA-2zalB:
undetectable		 2bdmA-2zalB:
13.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BM9_A_SAMA301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 5ec3 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE
(Homo
sapiens) 		5 / 12 LEU A  50
SER A  54
ASP A  91
ALA A  29
ALA A  32
 LEU  A  50 ( 0.6A)
SER  A  54 ( 0.0A)
ASP  A  91 ( 0.6A)
ALA  A  29 ( 0.0A)
ALA  A  32 ( 0.0A)
 1.09A 2bm9A-5ec3A:
undetectable		 2bm9A-5ec3A:
19.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BM9_A_SAMA301_1
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 2an1 PUTATIVE KINASE
(Salmonella
enterica) 		3 / 3 LYS A 284
ASP A 105
ASN A  97
 LYS  A 284 ( 0.0A)
ASP  A 105 ( 0.6A)
ASN  A  97 ( 0.6A)
 1.16A 2bm9A-2an1A:
2.8		 2bm9A-2an1A:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BM9_D_SAMD301_1
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 1ted PKS18
(Mycobacterium
tuberculosis) 		3 / 3 ASP A 389
ASP A 308
ASN A 300
 ASP  A 389 ( 0.6A)
ASP  A 308 ( 0.5A)
ASN  A 300 ( 0.6A)
 0.74A 2bm9D-1tedA:
undetectable		 2bm9D-1tedA:
23.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BPX_B_MK1B902_2
(HIV-1 PROTEASE)		 5nks DIHYDROPYRIMIDINASE-
RELATED PROTEIN 4
(Homo
sapiens) 		6 / 12 GLY A  46
ALA A  33
ASP A  34
VAL A  65
ILE A  19
ILE A  24
 GLY  A  46 ( 0.0A)
ALA  A  33 ( 0.0A)
ASP  A  34 ( 0.6A)
VAL  A  65 ( 0.6A)
ILE  A  19 ( 0.7A)
ILE  A  24 ( 0.7A)
 1.31A 2bpxB-5nksA:
undetectable		 2bpxB-5nksA:
9.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BR4_B_SAMB301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 3i4k MUCONATE LACTONIZING
ENZYME
(Corynebacterium
glutamicum) 		5 / 12 GLY A  49
ASN A  45
ASP A 116
ALA A 113
ALA A 109
 GLY  A  49 ( 0.0A)
ASN  A  45 ( 0.6A)
ASP  A 116 ( 0.6A)
ALA  A 113 ( 0.0A)
ALA  A 109 ( 0.0A)
 1.28A 2br4B-3i4kA:
undetectable		 2br4B-3i4kA:
19.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BTE_A_LEUA1894_0
(AMINOACYL-TRNA
SYNTHETASE)		 5w0a GLUCANASE
(Trichoderma
harzianum) 		4 / 8 TYR A  38
ASP A  35
TYR A 170
TYR A 146
 TYR  A  38 ( 1.3A)
ASP  A  35 ( 0.6A)
TYR  A 170 ( 1.3A)
TYR  A 146 ( 1.3A)
 1.37A 2bteA-5w0aA:
undetectable		 2bteA-5w0aA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BTE_D_LEUD1893_0
(AMINOACYL-TRNA
SYNTHETASE)		 5w0a GLUCANASE
(Trichoderma
harzianum) 		4 / 8 TYR A  38
ASP A  35
TYR A 170
TYR A 146
 TYR  A  38 ( 1.3A)
ASP  A  35 ( 0.6A)
TYR  A 170 ( 1.3A)
TYR  A 146 ( 1.3A)
 1.32A 2bteD-5w0aA:
undetectable		 2bteD-5w0aA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BXK_A_IMNA2001_1
(SERUM ALBUMIN)		 2b92 INTERFERON-INDUCED
GUANYLATE-BINDING
PROTEIN 1
(Homo
sapiens) 		4 / 8 SER A 305
ALA A 117
LEU A 148
ASP A 108
 SER  A 305 ( 0.0A)
ALA  A 117 ( 0.0A)
LEU  A 148 ( 0.6A)
ASP  A 108 ( 0.6A)
 1.08A 2bxkA-2b92A:
undetectable		 2bxkA-2b92A:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BYT_A_LEUA1301_0
(LEUCYL-TRNA
SYNTHETASE)		 5w0a GLUCANASE
(Trichoderma
harzianum) 		4 / 7 TYR A  38
ASP A  35
TYR A 170
TYR A 146
 TYR  A  38 ( 1.3A)
ASP  A  35 ( 0.6A)
TYR  A 170 ( 1.3A)
TYR  A 146 ( 1.3A)
 1.29A 2bytA-5w0aA:
undetectable		 2bytA-5w0aA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BYT_D_LEUD1601_0
(LEUCYL-TRNA
SYNTHETASE)		 5w0a GLUCANASE
(Trichoderma
harzianum) 		4 / 7 TYR A  38
ASP A  35
TYR A 170
TYR A 146
 TYR  A  38 ( 1.3A)
ASP  A  35 ( 0.6A)
TYR  A 170 ( 1.3A)
TYR  A 146 ( 1.3A)
 1.29A 2bytD-5w0aA:
undetectable		 2bytD-5w0aA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2C6N_A_LPRA705_1
(ANGIOTENSIN-CONVERTI
NG ENZYME, SOMATIC
ISOFORM)		 1y79 PEPTIDYL-DIPEPTIDASE
DCP
(Escherichia
coli) 		8 / 12 ALA 1 424
HIS 1 469
GLU 1 470
HIS 1 473
GLU 1 498
HIS 1 601
TYR 1 611
TYR 1 614
 GLY  1 703 (-4.8A)
ZN  1 700 (-3.2A)
TRP  1 702 ( 2.6A)
ZN  1 700 ( 3.3A)
ZN  1 700 ( 2.2A)
TRP  1 702 ( 3.8A)
ASP  1 704 (-4.7A)
ASP  1 704 (-3.5A)
 0.38A 2c6nA-1y791:
19.8		 2c6nA-1y791:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2C6N_B_LPRB705_1
(ANGIOTENSIN-CONVERTI
NG ENZYME, SOMATIC
ISOFORM)		 1y79 PEPTIDYL-DIPEPTIDASE
DCP
(Escherichia
coli) 		7 / 12 HIS 1 469
GLU 1 470
HIS 1 473
GLU 1 498
HIS 1 601
TYR 1 611
TYR 1 614
 ZN  1 700 (-3.2A)
TRP  1 702 ( 2.6A)
ZN  1 700 ( 3.3A)
ZN  1 700 ( 2.2A)
TRP  1 702 ( 3.8A)
ASP  1 704 (-4.7A)
ASP  1 704 (-3.5A)
 0.38A 2c6nB-1y791:
19.8		 2c6nB-1y791:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CDQ_B_SAMB1500_0
(ASPARTOKINASE)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		4 / 7 ASP A 102
SER A  62
LEU A 105
GLU A 284
 ASP  A 102 ( 0.6A)
SER  A  62 ( 0.0A)
LEU  A 105 ( 0.6A)
GLU  A 284 ( 0.5A)
 1.10A 2cdqB-2nvvA:
undetectable		 2cdqB-2nvvA:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CPP_A_CAMA422_0
(CYTOCHROME P450-CAM)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 7 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 0.98A 2cppA-5lmxC:
undetectable		 2cppA-5lmxC:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DDW_B_PXLB1005_1
(PYRIDOXINE KINASE)		 1ted PKS18
(Mycobacterium
tuberculosis) 		4 / 7 LEU A  88
HIS A 221
GLY A 225
ASP A 226
 LEU  A  88 ( 0.6A)
HIS  A 221 (-1.0A)
GLY  A 225 ( 0.0A)
ASP  A 226 ( 0.6A)
 0.96A 2ddwB-1tedA:
undetectable		 2ddwB-1tedA:
23.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DPZ_A_TYLA2001_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		 4kqn D-HYDANTOINASE
(Bacillus
sp.
AR9) 		4 / 6 ALA A 154
HIS A 239
ASP A 315
LYS A 150
 ALA  A 154 ( 0.0A)
HIS  A 239 (-1.0A)
ASP  A 315 (-0.6A)
LYS  A 150 ( 0.0A)
 1.19A 2dpzA-4kqnA:
undetectable		 2dpzA-4kqnA:
11.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		 4kqn D-HYDANTOINASE
(Bacillus
sp.
AR9) 		4 / 8 ASP A 344
GLY A 420
THR A 347
ASN A 416
 ASP  A 344 ( 0.6A)
GLY  A 420 ( 0.0A)
THR  A 347 ( 0.8A)
ASN  A 416 ( 0.6A)
 0.77A 2dtjA-4kqnA:
undetectable
2dtjB-4kqnA:
undetectable		 2dtjA-4kqnA:
15.84
2dtjB-4kqnA:
15.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTT_C_H4BC1002_1
(HYPOTHETICAL PROTEIN
PH0634)		 3ulk KETOL-ACID
REDUCTOISOMERASE
(Escherichia
coli) 		4 / 6 ASP A 356
PHE A 355
THR A 260
GLU A 351
 ASP  A 356 ( 0.6A)
PHE  A 355 ( 1.3A)
THR  A 260 ( 0.8A)
GLU  A 351 ( 0.5A)
 1.48A 2dttB-3ulkA:
undetectable
2dttC-3ulkA:
undetectable		 2dttB-3ulkA:
14.26
2dttC-3ulkA:
14.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2E5D_B_NCAB1502_0
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		 2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50
(Geobacillus
stearothermophil
us) 		4 / 7 ASP A 486
PHE A 488
ALA A 474
ARG A 393
 ASP  A 486 ( 0.6A)
PHE  A 488 ( 1.3A)
ALA  A 474 ( 0.0A)
ARG  A 393 ( 0.6A)
 1.08A 2e5dA-2ogsA:
undetectable
2e5dB-2ogsA:
undetectable		 2e5dA-2ogsA:
21.26
2e5dB-2ogsA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJT_A_SAMA501_1
(N(2),N(2)-DIMETHYLGU
ANOSINE TRNA
METHYLTRANSFERASE)		 4fe2 PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE
(Streptococcus
pneumoniae) 		3 / 3 ARG A 214
ASP A 128
ASP A 125
 AIR  A 301 (-3.1A)
ASP  A 306 ( 4.0A)
None
 0.79A 2ejtA-4fe2A:
undetectable		 2ejtA-4fe2A:
22.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2EVA_A_ADNA498_1
(TAK1 KINASE - TAB1
CHIMERA FUSION
PROTEIN)		 5d7a TRAF2 AND
NCK-INTERACTING
PROTEIN KINASE
(Homo
sapiens) 		8 / 11 VAL A  31
GLY A  32
GLY A  34
VAL A  39
ALA A  52
SER A 112
LEU A 160
ASP A 171
 VAL  A  31 (-0.6A)
GLY  A  32 ( 0.0A)
GLY  A  34 ( 0.0A)
VAL  A  39 (-0.6A)
ALA  A  52 (-0.0A)
SER  A 112 (-0.0A)
LEU  A 160 (-0.6A)
ASP  A 171 ( 0.5A)
 0.72A 2evaA-5d7aA:
26.3		 2evaA-5d7aA:
31.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F78_A_BEZA1003_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)		 2f5x BUGD
(Bordetella
pertussis) 		4 / 7 VAL A  40
LEU A  26
HIS A 227
THR A  19
 None
None
None
ASP  A 901 (-3.8A)
 1.15A 2f78A-2f5xA:
7.2		 2f78A-2f5xA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FEU_B_CAMB1421_0
(CYTOCHROME P450-CAM)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 7 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 1.04A 2feuB-5lmxC:
undetectable		 2feuB-5lmxC:
22.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FN1_A_SALA506_1
(SALICYLATE
SYNTHETASE, IRP9)		 2zal L-ASPARAGINASE
(Escherichia
coli) 		5 / 11 ILE A  15
GLY B 276
THR B 230
HIS A   9
GLY A  13
 None
None
ASP  B 501 ( 3.8A)
None
None
 1.18A 2fn1A-2zalA:
undetectable		 2fn1A-2zalA:
17.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FN1_B_SALB503_1
(SALICYLATE
SYNTHETASE, IRP9)		 2zal L-ASPARAGINASE
(Escherichia
coli) 		5 / 11 ILE A  15
GLY B 276
THR B 230
HIS A   9
GLY A  13
 None
None
ASP  B 501 ( 3.8A)
None
None
 1.20A 2fn1B-2zalA:
undetectable		 2fn1B-2zalA:
17.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FQY_A_ADNA400_1
(MEMBRANE LIPOPROTEIN
TMPC)		 4ki5 MURINE MONOCLONAL
G99 FAB HEAVY CHAIN
(Mus
musculus) 		5 / 12 ASP E  90
PHE E  64
MET E  81
PHE E  70
GLY E  66
 ASP  E  90 ( 0.6A)
PHE  E  64 ( 1.3A)
MET  E  81 ( 0.0A)
PHE  E  70 ( 1.3A)
GLY  E  66 ( 0.0A)
 1.27A 2fqyA-4ki5E:
undetectable		 2fqyA-4ki5E:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FUM_A_MIXA539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		 3o96 RAC-ALPHA
SERINE/THREONINE-PRO
TEIN KINASE
(Homo
sapiens) 		7 / 12 LEU A 156
VAL A 164
ALA A 177
ASP A 274
LYS A 276
ASN A 279
MET A 281
 LEU  A 156 ( 0.6A)
VAL  A 164 ( 0.6A)
ALA  A 177 ( 0.0A)
ASP  A 274 ( 0.5A)
LYS  A 276 ( 0.0A)
ASN  A 279 ( 0.6A)
MET  A 281 ( 0.0A)
 0.83A 2fumA-3o96A:
24.2		 2fumA-3o96A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FUM_D_MIXD3539_2
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		3 / 3 VAL A 262
VAL A 259
ASP A 413
 VAL  A 262 ( 0.6A)
VAL  A 259 ( 0.6A)
ASP  A 413 (-0.5A)
 0.78A 2fumD-2nvvA:
undetectable		 2fumD-2nvvA:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FXD_A_DR7A102_2
(POL PROTEIN)		 4dlk PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE, ATPASE
SUBUNIT
(Bacillus
anthracis) 		4 / 7 ALA A 283
ASP A 282
GLY A 277
ILE A 194
 ALA  A 283 ( 0.0A)
ASP  A 282 ( 0.6A)
GLY  A 277 ( 0.0A)
ILE  A 194 ( 0.7A)
 0.84A 2fxdB-4dlkA:
undetectable		 2fxdB-4dlkA:
15.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2G70_A_SAMA2001_0
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		 1wqa PHOSPHO-SUGAR MUTASE
(Pyrococcus
horikoshii) 		5 / 12 LEU A 363
ASP A 237
VAL A 177
ALA A 249
VAL A 350
 LEU  A 363 ( 0.6A)
ASP  A 237 ( 0.5A)
VAL  A 177 ( 0.6A)
ALA  A 249 ( 0.0A)
VAL  A 350 ( 0.6A)
 1.20A 2g70A-1wqaA:
undetectable		 2g70A-1wqaA:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2G70_B_SAMB2002_0
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		 1wqa PHOSPHO-SUGAR MUTASE
(Pyrococcus
horikoshii) 		5 / 12 LEU A 363
ASP A 237
VAL A 177
ALA A 249
VAL A 350
 LEU  A 363 ( 0.6A)
ASP  A 237 ( 0.5A)
VAL  A 177 ( 0.6A)
ALA  A 249 ( 0.0A)
VAL  A 350 ( 0.6A)
 1.20A 2g70B-1wqaA:
undetectable		 2g70B-1wqaA:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2G72_A_SAMA2001_0
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		 1wqa PHOSPHO-SUGAR MUTASE
(Pyrococcus
horikoshii) 		5 / 12 LEU A 363
ASP A 237
VAL A 177
ALA A 249
VAL A 350
 LEU  A 363 ( 0.6A)
ASP  A 237 ( 0.5A)
VAL  A 177 ( 0.6A)
ALA  A 249 ( 0.0A)
VAL  A 350 ( 0.6A)
 1.23A 2g72A-1wqaA:
undetectable		 2g72A-1wqaA:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2G72_A_SAMA2001_1
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		 3qvi HISTO-ASPARTIC
PROTEASE
(Plasmodium
falciparum) 		4 / 6 TYR A  56
GLY A  21
ASP A  22
ASN A  23
 TYR  A  56 ( 1.3A)
GLY  A  21 ( 0.0A)
ASP  A  22 ( 0.5A)
ASN  A  23 ( 0.6A)
 1.15A 2g72A-3qviA:
undetectable		 2g72A-3qviA:
18.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2GJ5_A_VD3A164_1
(BETA-LACTOGLOBULIN)		 5l5n PLEXIN-A4
(Mus
musculus) 		4 / 5 ASP A  76
LEU A  77
LYS A  78
ARG A 503
 ASP  A  76 ( 0.5A)
LEU  A  77 ( 0.5A)
LYS  A  78 ( 0.0A)
ARG  A 503 ( 0.6A)
 1.33A 2gj5A-5l5nA:
undetectable		 2gj5A-5l5nA:
8.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HDN_L_TACL6888_1
(ELONGATION FACTOR
EF-TU)		 5ep8 PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE
(Bacillus
subtilis) 		4 / 6 SER A 237
VAL A 200
THR A  91
ASP A  89
 SER  A 237 ( 0.0A)
VAL  A 200 ( 0.6A)
THR  A  91 ( 0.8A)
ASP  A  89 ( 0.6A)
 1.28A 2hdnJ-5ep8A:
2.4
2hdnK-5ep8A:
undetectable
2hdnL-5ep8A:
2.6		 2hdnJ-5ep8A:
21.43
2hdnK-5ep8A:
9.45
2hdnL-5ep8A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IGT_C_SAMC1003_1
(SAM DEPENDENT
METHYLTRANSFERASE)		 4hne PHOSPHATIDYLINOSITOL
4-KINASE TYPE
2-ALPHA
(Homo
sapiens) 		4 / 4 ASP A 301
ASP A 200
ASP A 346
GLY A 195
 ASP  A 301 ( 0.6A)
ASP  A 200 ( 0.6A)
ASP  A 346 (-0.6A)
GLY  A 195 ( 0.0A)
 1.36A 2igtC-4hneA:
undetectable		 2igtC-4hneA:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IYF_A_ERYA1400_0
(OLEANDOMYCIN
GLYCOSYLTRANSFERASE)		 3r6y ASPARTASE
(Bacillus
sp.
YM55-1) 		5 / 11 HIS A 150
ASN A 359
PHE A 366
ASN A 226
ASP A 266
 HIS  A 150 ( 1.0A)
ASN  A 359 ( 0.6A)
PHE  A 366 ( 1.3A)
ASN  A 226 ( 0.6A)
ASP  A 266 ( 0.6A)
 1.22A 2iyfA-3r6yA:
undetectable		 2iyfA-3r6yA:
20.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2J2P_A_SC2A1290_1
(FICOLIN-2)		 5l5n PLEXIN-A4
(Mus
musculus) 		4 / 5 ASP A 429
SER A 451
LEU A 454
GLY A 448
 ASP  A 429 ( 0.5A)
SER  A 451 ( 0.0A)
LEU  A 454 ( 0.5A)
GLY  A 448 ( 0.0A)
 1.11A 2j2pA-5l5nA:
undetectable
2j2pB-5l5nA:
undetectable		 2j2pA-5l5nA:
11.41
2j2pB-5l5nA:
11.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2J2P_F_SC2F1291_1
(FICOLIN-2)		 2nz2 ARGININOSUCCINATE
SYNTHASE
(Homo
sapiens) 		4 / 6 SER A  92
LEU A  89
ASP A 124
GLU A 270
 None
None
ASP  A 501 ( 3.6A)
CIR  A 502 (-2.6A)
 1.07A 2j2pE-2nz2A:
undetectable
2j2pF-2nz2A:
undetectable		 2j2pE-2nz2A:
19.47
2j2pF-2nz2A:
19.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2J2P_F_SC2F1291_1
(FICOLIN-2)		 4g9k ROTENONE-INSENSITIVE
NADH-UBIQUINONE
OXIDOREDUCTASE
(Saccharomyces
cerevisiae) 		4 / 6 LEU A  93
SER A 106
ASP A 498
ASP A 103
 LEU  A  93 ( 0.6A)
SER  A 106 ( 0.0A)
ASP  A 498 ( 0.6A)
ASP  A 103 ( 0.6A)
 1.15A 2j2pE-4g9kA:
undetectable
2j2pF-4g9kA:
undetectable		 2j2pE-4g9kA:
17.78
2j2pF-4g9kA:
17.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JFA_A_RALA600_2
(ESTROGEN RECEPTOR)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		4 / 5 LEU A 232
ASP A 235
LEU A 138
HIS A 257
 LEU  A 232 ( 0.5A)
ASP  A 235 ( 0.5A)
LEU  A 138 ( 0.5A)
HIS  A 257 ( 1.0A)
 1.22A 2jfaA-4flxA:
undetectable		 2jfaA-4flxA:
16.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JKL_A_CLMA1144_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 5jxf ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE
(Flavobacterium
psychrophilum) 		4 / 7 GLY A 269
PRO A 268
THR A  68
GLY A 642
 None
None
None
ASP  A 802 (-3.8A)
 0.85A 2jklA-5jxfA:
undetectable		 2jklA-5jxfA:
12.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JKL_C_CLMC1143_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 5jxf ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE
(Flavobacterium
psychrophilum) 		4 / 7 GLY A 269
PRO A 268
THR A  68
GLY A 642
 None
None
None
ASP  A 802 (-3.8A)
 0.85A 2jklC-5jxfA:
undetectable		 2jklC-5jxfA:
12.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JKL_D_CLMD1145_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 5jxf ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE
(Flavobacterium
psychrophilum) 		4 / 7 GLY A 269
PRO A 268
THR A  68
GLY A 642
 None
None
None
ASP  A 802 (-3.8A)
 0.86A 2jklD-5jxfA:
undetectable		 2jklD-5jxfA:
12.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JKL_F_CLMF1143_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 5jxf ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE
(Flavobacterium
psychrophilum) 		4 / 7 GLY A 269
PRO A 268
THR A  68
GLY A 642
 None
None
None
ASP  A 802 (-3.8A)
 0.87A 2jklF-5jxfA:
undetectable		 2jklF-5jxfA:
12.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		 2hmf PROBABLE
ASPARTOKINASE
(Methanocaldococc
us
jannaschii) 		5 / 12 SER A 210
VAL A  21
ALA A  22
VAL A 189
VAL A  35
 ASP  A 502 (-3.4A)
None
None
None
None
 1.30A 2nniA-2hmfA:
1.6		 2nniA-2hmfA:
23.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNK_A_ROCA401_3
(PROTEASE)		 1vho ENDOGLUCANASE
(Thermotoga
maritima) 		5 / 12 LEU A 178
ASP A 317
ILE A 260
VAL A 181
VAL A 177
 LEU  A 178 ( 0.6A)
ASP  A 317 ( 0.6A)
ILE  A 260 ( 0.7A)
VAL  A 181 ( 0.6A)
VAL  A 177 ( 0.6A)
 0.88A 2nnkB-1vhoA:
undetectable		 2nnkB-1vhoA:
16.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNK_A_ROCA401_3
(PROTEASE)		 2wlt L-ASPARAGINASE
(Helicobacter
pylori) 		5 / 12 LEU A  73
ASP A  64
GLY A  15
ILE A  17
VAL A  57
 None
None
ASP  A1333 (-3.2A)
None
None
 0.89A 2nnkB-2wltA:
undetectable		 2nnkB-2wltA:
16.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NV4_A_SAMA201_0
(UPF0066 PROTEIN
AF_0241)		 4hne PHOSPHATIDYLINOSITOL
4-KINASE TYPE
2-ALPHA
(Homo
sapiens) 		5 / 12 ALA A 350
GLN A 426
ASP A 182
PRO A 356
LEU A 184
 ALA  A 350 ( 0.0A)
GLN  A 426 ( 0.6A)
ASP  A 182 ( 0.6A)
PRO  A 356 ( 1.1A)
LEU  A 184 ( 0.6A)
 1.32A 2nv4A-4hneA:
undetectable		 2nv4A-4hneA:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NXE_B_SAMB303_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 2zal L-ASPARAGINASE
(Escherichia
coli) 		5 / 12 GLY B 276
GLY B 233
GLY B 231
LEU B 268
LEU B 213
 None
ASP  B 501 ( 3.0A)
ASP  B 501 ( 3.8A)
None
None
 0.95A 2nxeB-2zalB:
undetectable		 2nxeB-2zalB:
23.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NXE_B_SAMB303_1
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 3wvn NON-RIBOSOMAL
PEPTIDE SYNTHETASE
(Streptomyces
halstedii) 		3 / 3 THR A 297
ASP A 230
SER A 228
 None
ASP  A 601 (-2.6A)
None
 0.84A 2nxeB-3wvnA:
3.4		 2nxeB-3wvnA:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NYU_B_SAMB201_1
(PUTATIVE RIBOSOMAL
RNA
METHYLTRANSFERASE 2)		 1ted PKS18
(Mycobacterium
tuberculosis) 		4 / 5 PRO A  99
ALA A 100
ASP A  89
ASP A 104
 PRO  A  99 ( 1.1A)
ALA  A 100 ( 0.0A)
ASP  A  89 ( 0.5A)
ASP  A 104 ( 0.6A)
 1.19A 2nyuB-1tedA:
undetectable		 2nyuB-1tedA:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2O4P_A_TPVA300_1
(PROTEASE)		 2wlt L-ASPARAGINASE
(Helicobacter
pylori) 		5 / 11 LEU A  73
ASP A  64
GLY A  15
ILE A  17
VAL A  57
 None
None
ASP  A1333 (-3.2A)
None
None
 0.86A 2o4pA-2wltA:
undetectable		 2o4pA-2wltA:
16.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OXT_C_SAMC300_1
(NUCLEOSIDE-2'-O-METH
YLTRANSFERASE)		 5xlu GAMMA GLUTAMYL
TRANSPEPTIDASE
(Bacillus
licheniformis) 		4 / 4 SER A 108
GLY A 145
HIS A 154
ASP A 164
 SER  A 108 ( 0.0A)
GLY  A 145 ( 0.0A)
HIS  A 154 ( 1.0A)
ASP  A 164 ( 0.5A)
 1.19A 2oxtC-5xluA:
undetectable		 2oxtC-5xluA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PYM_A_1UNA1001_3
(PROTEASE RETROPEPSIN)		 1txu RAB5 GDP/GTP
EXCHANGE FACTOR
(Homo
sapiens) 		3 / 3 ASP A 260
ASN A 258
THR A 318
 ASP  A 260 ( 0.5A)
ASN  A 258 ( 0.6A)
THR  A 318 ( 0.8A)
 0.70A 2pymB-1txuA:
undetectable		 2pymB-1txuA:
18.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PYM_A_1UNA1001_3
(PROTEASE RETROPEPSIN)		 2v9u MSPA
(Mycolicibacteriu
m
smegmatis) 		3 / 3 ASP A   3
ASN A   4
THR A  17
 ASP  A   3 ( 0.6A)
ASN  A   4 ( 0.6A)
THR  A  17 ( 0.8A)
 0.60A 2pymB-2v9uA:
undetectable		 2pymB-2v9uA:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PYN_A_1UNA1001_3
(PROTEASE RETROPEPSIN)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		3 / 3 ASP A 413
THR A 393
PRO A 394
 ASP  A 413 (-0.5A)
THR  A 393 ( 0.8A)
PRO  A 394 ( 1.1A)
 0.61A 2pynB-2nvvA:
undetectable		 2pynB-2nvvA:
12.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q0J_B_BEZB500_0
(QUINOLONE SIGNAL
RESPONSE PROTEIN)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		5 / 11 ASP A 201
HIS A 200
ASP A 318
LEU A 319
HIS A 164
 ASP  A 201 ( 0.5A)
HIS  A 200 (-1.0A)
ASP  A 318 (-0.5A)
LEU  A 319 ( 0.6A)
HIS  A 164 (-1.0A)
 1.25A 2q0jB-3sl5A:
undetectable		 2q0jB-3sl5A:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q63_A_1UNA1001_4
(PROTEASE RETROPEPSIN)		 1txu RAB5 GDP/GTP
EXCHANGE FACTOR
(Homo
sapiens) 		3 / 3 ASP A 260
ASN A 258
THR A 318
 ASP  A 260 ( 0.5A)
ASN  A 258 ( 0.6A)
THR  A 318 ( 0.8A)
 0.70A 2q63B-1txuA:
undetectable		 2q63B-1txuA:
18.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q63_A_1UNA1001_4
(PROTEASE RETROPEPSIN)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		3 / 3 ASP A 473
ASN A 471
THR A 468
 ASP  A 473 ( 0.5A)
ASN  A 471 ( 0.6A)
THR  A 468 ( 0.8A)
 0.78A 2q63B-2nvvA:
undetectable		 2q63B-2nvvA:
12.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q63_A_1UNA1001_4
(PROTEASE RETROPEPSIN)		 2v9u MSPA
(Mycolicibacteriu
m
smegmatis) 		3 / 3 ASP A   3
ASN A   4
THR A  17
 ASP  A   3 ( 0.6A)
ASN  A   4 ( 0.6A)
THR  A  17 ( 0.8A)
 0.49A 2q63B-2v9uA:
undetectable		 2q63B-2v9uA:
24.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q64_B_1UNB1001_4
(PROTEASE RETROPEPSIN)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		3 / 3 ASP A 413
THR A 393
PRO A 394
 ASP  A 413 (-0.5A)
THR  A 393 ( 0.8A)
PRO  A 394 ( 1.1A)
 0.60A 2q64B-2nvvA:
undetectable		 2q64B-2nvvA:
12.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q64_B_1UNB1001_4
(PROTEASE RETROPEPSIN)		 5c6d UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 7
(Homo
sapiens) 		3 / 3 ASP A 722
THR A 707
PRO A 708
 ASP  A 722 ( 0.6A)
THR  A 707 ( 0.8A)
PRO  A 708 ( 1.1A)
 0.64A 2q64B-5c6dA:
undetectable		 2q64B-5c6dA:
15.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QAK_A_1UNA1001_4
(PROTEASE RETROPEPSIN)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		3 / 3 ASP A 413
THR A 393
PRO A 394
 ASP  A 413 (-0.5A)
THR  A 393 ( 0.8A)
PRO  A 394 ( 1.1A)
 0.57A 2qakB-2nvvA:
undetectable		 2qakB-2nvvA:
12.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QE6_A_SAMA400_0
(UNCHARACTERIZED
PROTEIN TFU_2867)		 2j0w LYSINE-SENSITIVE
ASPARTOKINASE 3
(Escherichia
coli) 		6 / 12 ALA A  40
GLY A 183
ASP A 141
VAL A 142
ARG A 143
GLY A 200
 ASP  A 502 ( 4.7A)
None
None
None
None
ASP  A 502 (-4.2A)
 1.26A 2qe6A-2j0wA:
undetectable		 2qe6A-2j0wA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QXS_A_RALA600_2
(ESTROGEN RECEPTOR)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		4 / 5 LEU A 232
ASP A 235
LEU A 138
HIS A 257
 LEU  A 232 ( 0.5A)
ASP  A 235 ( 0.5A)
LEU  A 138 ( 0.5A)
HIS  A 257 ( 1.0A)
 1.23A 2qxsA-4flxA:
undetectable		 2qxsA-4flxA:
16.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QXS_B_RALB600_2
(ESTROGEN RECEPTOR)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		4 / 5 LEU A 232
ASP A 235
LEU A 138
HIS A 257
 LEU  A 232 ( 0.5A)
ASP  A 235 ( 0.5A)
LEU  A 138 ( 0.5A)
HIS  A 257 ( 1.0A)
 1.20A 2qxsB-4flxA:
undetectable		 2qxsB-4flxA:
16.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2RLF_B_RIMB299_1
(MATRIX PROTEIN 2)		 4hne PHOSPHATIDYLINOSITOL
4-KINASE TYPE
2-ALPHA
(Homo
sapiens) 		4 / 6 LEU A 297
LEU A 300
ASP A 301
TRP A 366
 LEU  A 297 ( 0.5A)
LEU  A 300 ( 0.5A)
ASP  A 301 ( 0.6A)
TRP  A 366 ( 0.5A)
 1.08A 2rlfB-4hneA:
undetectable
2rlfC-4hneA:
undetectable		 2rlfB-4hneA:
7.42
2rlfC-4hneA:
7.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2TSR_D_D16D609_1
(THYMIDYLATE SYNTHASE)		 5gru DIABODY PROTEIN
(Homo
sapiens;
Mus
musculus) 		5 / 9 ILE L 217
ASP H 117
GLY H  99
TYR L 176
THR H 103
 ILE  L 217 ( 0.7A)
ASP  H 117 ( 0.6A)
GLY  H  99 ( 0.0A)
TYR  L 176 ( 1.3A)
THR  H 103 ( 0.8A)
 1.47A 2tsrD-5gruL:
undetectable		 2tsrD-5gruL:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2UY4_A_AZMA1311_1
(ENDOCHITINASE)		 5gpr CHITINASE
(Ostrinia
furnacalis) 		6 / 9 TYR A 156
PHE A 184
GLY A 267
ASP A 306
TYR A 383
TRP A 532
 TYR  A 156 ( 1.3A)
PHE  A 184 ( 1.3A)
GLY  A 267 ( 0.0A)
ASP  A 306 ( 0.5A)
TYR  A 383 ( 1.3A)
TRP  A 532 ( 0.5A)
 0.93A 2uy4A-5gprA:
18.4		 2uy4A-5gprA:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V0G_A_LEUA1887_0
(AMINOACYL-TRNA
SYNTHETASE)		 5w0a GLUCANASE
(Trichoderma
harzianum) 		4 / 8 TYR A  38
ASP A  35
TYR A 170
TYR A 146
 TYR  A  38 ( 1.3A)
ASP  A  35 ( 0.6A)
TYR  A 170 ( 1.3A)
TYR  A 146 ( 1.3A)
 1.30A 2v0gA-5w0aA:
undetectable		 2v0gA-5w0aA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V0G_D_LEUD1883_0
(AMINOACYL-TRNA
SYNTHETASE)		 5w0a GLUCANASE
(Trichoderma
harzianum) 		4 / 5 TYR A  38
ASP A  35
TYR A 170
TYR A 146
 TYR  A  38 ( 1.3A)
ASP  A  35 ( 0.6A)
TYR  A 170 ( 1.3A)
TYR  A 146 ( 1.3A)
 1.38A 2v0gD-5w0aA:
undetectable		 2v0gD-5w0aA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W9G_A_TOPA1159_1
(DIHYDROFOLATE
REDUCTASE)		 1rrv GLYCOSYLTRANSFERASE
GTFD
(Amycolatopsis
orientalis) 		5 / 10 ASP A 199
LEU A 202
VAL A 201
ILE A 346
THR A 385
 ASP  A 199 ( 0.5A)
LEU  A 202 ( 0.6A)
VAL  A 201 ( 0.6A)
ILE  A 346 ( 0.7A)
THR  A 385 ( 0.8A)
 1.13A 2w9gA-1rrvA:
undetectable		 2w9gA-1rrvA:
16.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WD9_C_IBPC1570_1
(ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL)		 3wvn NON-RIBOSOMAL
PEPTIDE SYNTHETASE
(Streptomyces
halstedii) 		5 / 10 THR A 185
TRP A 229
GLY A 325
GLN A 326
THR A 327
 None
ASP  A 601 ( 4.9A)
ASP  A 601 (-3.6A)
None
ASP  A 601 (-4.6A)
 1.04A 2wd9C-3wvnA:
42.6		 2wd9C-3wvnA:
28.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X1L_A_ADNA601_1
(METHIONYL-TRNA
SYNTHETASE)		 2zal L-ASPARAGINASE
(Escherichia
coli) 		5 / 11 ALA B 216
ALA B 241
GLY B 231
GLY B 209
ILE B 237
 None
None
ASP  B 501 ( 3.8A)
ASP  B 501 ( 4.0A)
None
 1.11A 2x1lA-2zalB:
undetectable		 2x1lA-2zalB:
14.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X1L_A_ADNA601_1
(METHIONYL-TRNA
SYNTHETASE)		 4oud TYROSYL-TRNA
SYNTHETASE
(Escherichia
coli) 		5 / 11 HIS B  48
GLY B  50
HIS B  51
GLY B 198
ASP B 200
 HIS  B  48 ( 1.0A)
GLY  B  50 ( 0.0A)
HIS  B  51 ( 1.0A)
GLY  B 198 ( 0.0A)
ASP  B 200 ( 0.6A)
 0.75A 2x1lA-4oudB:
8.8		 2x1lA-4oudB:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X1L_B_ADNB601_1
(METHIONYL-TRNA
SYNTHETASE)		 4oud TYROSYL-TRNA
SYNTHETASE
(Escherichia
coli) 		5 / 12 HIS B  48
GLY B  50
HIS B  51
GLY B 198
ASP B 200
 HIS  B  48 ( 1.0A)
GLY  B  50 ( 0.0A)
HIS  B  51 ( 1.0A)
GLY  B 198 ( 0.0A)
ASP  B 200 ( 0.6A)
 0.70A 2x1lB-4oudB:
9.2		 2x1lB-4oudB:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X1L_C_ADNC601_1
(METHIONYL-TRNA
SYNTHETASE)		 2zal L-ASPARAGINASE
(Escherichia
coli) 		5 / 11 ALA B 216
ALA B 241
GLY B 231
GLY B 209
ILE B 237
 None
None
ASP  B 501 ( 3.8A)
ASP  B 501 ( 4.0A)
None
 1.07A 2x1lC-2zalB:
undetectable		 2x1lC-2zalB:
14.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X1L_C_ADNC601_1
(METHIONYL-TRNA
SYNTHETASE)		 4oud TYROSYL-TRNA
SYNTHETASE
(Escherichia
coli) 		5 / 11 HIS B  48
GLY B  50
HIS B  51
GLY B 198
ASP B 200
 HIS  B  48 ( 1.0A)
GLY  B  50 ( 0.0A)
HIS  B  51 ( 1.0A)
GLY  B 198 ( 0.0A)
ASP  B 200 ( 0.6A)
 0.71A 2x1lC-4oudB:
9.3		 2x1lC-4oudB:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X8Z_A_X8ZA1615_1
(ANGIOTENSIN
CONVERTING ENZYME)		 1y79 PEPTIDYL-DIPEPTIDASE
DCP
(Escherichia
coli) 		7 / 11 HIS 1 469
GLU 1 470
HIS 1 473
GLU 1 498
HIS 1 601
TYR 1 611
TYR 1 614
 ZN  1 700 (-3.2A)
TRP  1 702 ( 2.6A)
ZN  1 700 ( 3.3A)
ZN  1 700 ( 2.2A)
TRP  1 702 ( 3.8A)
ASP  1 704 (-4.7A)
ASP  1 704 (-3.5A)
 0.32A 2x8zA-1y791:
19.7		 2x8zA-1y791:
24.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X91_A_LPRA1615_1
(ANGIOTENSIN
CONVERTING ENZYME)		 1y79 PEPTIDYL-DIPEPTIDASE
DCP
(Escherichia
coli) 		7 / 12 HIS 1 469
GLU 1 470
HIS 1 473
GLU 1 498
HIS 1 601
TYR 1 611
TYR 1 614
 ZN  1 700 (-3.2A)
TRP  1 702 ( 2.6A)
ZN  1 700 ( 3.3A)
ZN  1 700 ( 2.2A)
TRP  1 702 ( 3.8A)
ASP  1 704 (-4.7A)
ASP  1 704 (-3.5A)
 0.30A 2x91A-1y791:
19.9		 2x91A-1y791:
24.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XAD_E_GCSE710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 2v25 MAJOR CELL-BINDING
FACTOR
(Campylobacter
jejuni) 		4 / 8 ASP A 174
SER A 176
ILE A 177
ASP A 102
 ASP  A1234 (-2.8A)
None
None
None
 0.98A 2xadA-2v25A:
undetectable		 2xadA-2v25A:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XAD_F_GCSF710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 2v25 MAJOR CELL-BINDING
FACTOR
(Campylobacter
jejuni) 		4 / 8 ASP A 174
SER A 176
ILE A 177
ASP A 102
 ASP  A1234 (-2.8A)
None
None
None
 0.98A 2xadB-2v25A:
undetectable		 2xadB-2v25A:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XAD_G_GCSG710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 2v25 MAJOR CELL-BINDING
FACTOR
(Campylobacter
jejuni) 		4 / 8 ASP A 174
SER A 176
ILE A 177
ASP A 102
 ASP  A1234 (-2.8A)
None
None
None
 1.02A 2xadC-2v25A:
undetectable		 2xadC-2v25A:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XAD_H_GCSH710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 2v25 MAJOR CELL-BINDING
FACTOR
(Campylobacter
jejuni) 		4 / 8 ASP A 174
SER A 176
ILE A 177
ASP A 102
 ASP  A1234 (-2.8A)
None
None
None
 0.98A 2xadD-2v25A:
undetectable		 2xadD-2v25A:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XRZ_A_ACTA1467_0
(DEOXYRIBODIPYRIMIDIN
E PHOTOLYASE)		 1fxj UDP-N-ACETYLGLUCOSAM
INE
PYROPHOSPHORYLASE
(Escherichia
coli) 		4 / 5 ARG A 237
ASP A 261
ILE A 279
GLU A 236
 ARG  A 237 ( 0.6A)
ASP  A 261 ( 0.6A)
ILE  A 279 ( 0.7A)
GLU  A 236 ( 0.6A)
 1.40A 2xrzA-1fxjA:
0.4
2xrzB-1fxjA:
0.3		 2xrzA-1fxjA:
20.79
2xrzB-1fxjA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XTK_B_AZMB1339_1
(CLASS III CHITINASE
CHIA1)		 5gpr CHITINASE
(Ostrinia
furnacalis) 		6 / 10 TYR A 156
PHE A 184
GLY A 267
ASP A 306
TYR A 383
TRP A 532
 TYR  A 156 ( 1.3A)
PHE  A 184 ( 1.3A)
GLY  A 267 ( 0.0A)
ASP  A 306 ( 0.5A)
TYR  A 383 ( 1.3A)
TRP  A 532 ( 0.5A)
 0.96A 2xtkB-5gprA:
19.7		 2xtkB-5gprA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y05_A_RALA802_1
(PROSTAGLANDIN
REDUCTASE 1)		 2ixq PROTEIN AFAD
(Escherichia
coli) 		4 / 7 VAL A 113
GLY A  68
VAL A  65
ASP A  70
 VAL  A 113 ( 0.5A)
GLY  A  68 ( 0.0A)
VAL  A  65 ( 0.5A)
ASP  A  70 ( 0.4A)
 0.85A 2y05A-2ixqA:
undetectable
2y05B-2ixqA:
undetectable		 2y05A-2ixqA:
17.59
2y05B-2ixqA:
17.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YA7_C_ZMRC1776_2
(NEURAMINIDASE A)		 1l4a S-SNAP25 FUSION
PROTEIN
S-SYNTAXIN
SYNAPTOBREVIN
(Doryteuthis
pealeii) 		4 / 6 ASP A  73
ILE A  69
GLN C  56
GLU B 231
 ASP  A  73 ( 0.6A)
ILE  A  69 ( 0.7A)
GLN  C  56 ( 0.6A)
GLU  B 231 ( 0.5A)
 1.42A 2ya7C-1l4aA:
undetectable		 2ya7C-1l4aA:
9.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YA7_C_ZMRC1776_2
(NEURAMINIDASE A)		 2hmf PROBABLE
ASPARTOKINASE
(Methanocaldococc
us
jannaschii) 		4 / 6 ARG A 122
ASP A 123
ILE A 202
GLU A 130
 None
None
None
ASP  A 502 (-3.3A)
 1.32A 2ya7C-2hmfA:
undetectable		 2ya7C-2hmfA:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YZQ_A_SAMA6075_0
(PUTATIVE
UNCHARACTERIZED
PROTEIN PH1780)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		5 / 12 ILE A 256
ASP A   4
VAL A 205
ILE A 206
GLU A 251
 ILE  A 256 ( 0.7A)
ASP  A   4 ( 0.6A)
VAL  A 205 ( 0.5A)
ILE  A 206 ( 0.7A)
GLU  A 251 ( 0.6A)
 1.16A 2yzqA-4flxA:
undetectable		 2yzqA-4flxA:
18.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZAW_A_CAMA422_0
(CYTOCHROME P450-CAM)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 6 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 0.94A 2zawA-5lmxC:
undetectable		 2zawA-5lmxC:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZAX_A_CAMA422_0
(CYTOCHROME P450-CAM)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 7 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 0.97A 2zaxA-5lmxC:
undetectable		 2zaxA-5lmxC:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZI9_A_CL9A401_2
(DEOXYCYTIDINE KINASE)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		3 / 3 ASP A 212
PHE A 216
LEU A 220
 ASP  A 212 ( 0.6A)
PHE  A 216 ( 1.3A)
LEU  A 220 ( 0.6A)
 0.69A 2zi9A-4flxA:
undetectable		 2zi9A-4flxA:
18.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZIF_B_SAMB298_1
(PUTATIVE
MODIFICATION
METHYLASE)		 3eqz RESPONSE REGULATOR
(Colwellia
psychrerythraea) 		3 / 3 ASP A  57
THR A  40
GLU A  62
 ASP  A  57 ( 0.5A)
THR  A  40 ( 0.8A)
GLU  A  62 ( 0.6A)
 0.81A 2zifB-3eqzA:
2.5		 2zifB-3eqzA:
16.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZUL_A_SAMA376_1
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)		 1omo ALANINE
DEHYDROGENASE
(Archaeoglobus
fulgidus) 		3 / 3 SER A 186
GLU A 249
ASP A 219
 SER  A 186 ( 0.0A)
GLU  A 249 (-0.6A)
ASP  A 219 (-0.5A)
 0.65A 2zulA-1omoA:
5.0		 2zulA-1omoA:
24.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZUL_A_SAMA376_1
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)		 1vho ENDOGLUCANASE
(Thermotoga
maritima) 		3 / 3 SER A 174
GLU A 274
ASP A 236
 SER  A 174 ( 0.0A)
GLU  A 274 ( 0.6A)
ASP  A 236 ( 0.6A)
 0.80A 2zulA-1vhoA:
undetectable		 2zulA-1vhoA:
24.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZUL_A_SAMA376_1
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		3 / 3 SER A 493
GLU A 330
ASP A 259
 SER  A 493 ( 0.0A)
GLU  A 330 ( 0.5A)
ASP  A 259 ( 0.6A)
 0.71A 2zulA-4flxA:
undetectable		 2zulA-4flxA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZWE_B_DAHB98_1
(TYROSINASE
MELC)		 3ulk KETOL-ACID
REDUCTOISOMERASE
(Escherichia
coli) 		5 / 11 ASN A 181
HIS A 178
VAL A 177
ASP A 182
PRO A 183
 ASN  A 181 ( 0.6A)
HIS  A 178 ( 1.0A)
VAL  A 177 ( 0.6A)
ASP  A 182 ( 0.6A)
PRO  A 183 ( 1.1A)
 0.96A 2zweA-3ulkA:
undetectable
2zweB-3ulkA:
undetectable		 2zweA-3ulkA:
19.11
2zweB-3ulkA:
13.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZWF_B_DAHB98_1
(TYROSINASE
MELC)		 3ulk KETOL-ACID
REDUCTOISOMERASE
(Escherichia
coli) 		5 / 11 ASN A 181
HIS A 178
VAL A 177
ASP A 182
PRO A 183
 ASN  A 181 ( 0.6A)
HIS  A 178 ( 1.0A)
VAL  A 177 ( 0.6A)
ASP  A 182 ( 0.6A)
PRO  A 183 ( 1.1A)
 0.96A 2zwfA-3ulkA:
undetectable
2zwfB-3ulkA:
undetectable		 2zwfA-3ulkA:
19.11
2zwfB-3ulkA:
13.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZWG_B_DAHB98_1
(TYROSINASE
MELC)		 3ulk KETOL-ACID
REDUCTOISOMERASE
(Escherichia
coli) 		5 / 11 ASN A 181
HIS A 178
VAL A 177
ASP A 182
PRO A 183
 ASN  A 181 ( 0.6A)
HIS  A 178 ( 1.0A)
VAL  A 177 ( 0.6A)
ASP  A 182 ( 0.6A)
PRO  A 183 ( 1.1A)
 0.97A 2zwgA-3ulkA:
undetectable
2zwgB-3ulkA:
undetectable		 2zwgA-3ulkA:
19.11
2zwgB-3ulkA:
13.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZWT_A_CAMA422_0
(CAMPHOR
5-MONOOXYGENASE)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 7 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 0.97A 2zwtA-5lmxC:
undetectable		 2zwtA-5lmxC:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZWU_A_CAMA422_0
(CAMPHOR
5-MONOOXYGENASE)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 7 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 0.98A 2zwuA-5lmxC:
undetectable		 2zwuA-5lmxC:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZZM_A_SAMA401_1
(UNCHARACTERIZED
PROTEIN MJ0883)		 4kqn D-HYDANTOINASE
(Bacillus
sp.
AR9) 		3 / 3 ARG A  79
ASP A  62
ASN A 412
 ARG  A  79 ( 0.6A)
ASP  A  62 ( 0.6A)
ASN  A 412 ( 0.6A)
 0.89A 2zzmA-4kqnA:
undetectable		 2zzmA-4kqnA:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZZN_B_SAMB402_0
(UNCHARACTERIZED
PROTEIN MJ0883)		 2p5d UPF0310 PROTEIN
MJECL36
(Methanocaldococc
us
jannaschii) 		5 / 12 PHE A 102
TYR A  60
PHE A 108
ILE A 144
ASP A 140
 PHE  A 102 ( 1.3A)
TYR  A  60 ( 1.3A)
PHE  A 108 ( 1.3A)
ILE  A 144 ( 0.7A)
ASP  A 140 ( 0.6A)
 1.33A 2zznB-2p5dA:
undetectable		 2zznB-2p5dA:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZZN_B_SAMB402_0
(UNCHARACTERIZED
PROTEIN MJ0883)		 5gpr CHITINASE
(Ostrinia
furnacalis) 		5 / 12 PHE A 217
PHE A 293
ILE A 193
ASP A 195
PHE A 204
 PHE  A 217 ( 1.3A)
PHE  A 293 ( 1.3A)
ILE  A 193 ( 0.4A)
ASP  A 195 ( 0.6A)
PHE  A 204 ( 1.3A)
 1.23A 2zznB-5gprA:
undetectable		 2zznB-5gprA:
20.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A8I_A_C2FA401_0
(AMINOMETHYLTRANSFERA
SE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		7 / 12 MET A  56
ASP A 101
ILE A 103
VAL A 115
ASN A 117
TYR A 197
ARG A 233
 MET  A  56 (-0.0A)
ASP  A 101 (-0.6A)
ILE  A 103 (-0.7A)
VAL  A 115 (-0.6A)
ASN  A 117 (-0.6A)
TYR  A 197 (-1.3A)
ARG  A 233 (-0.6A)
 0.28A 3a8iA-1wsvA:
46.8		 3a8iA-1wsvA:
33.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A8I_A_C2FA401_0
(AMINOMETHYLTRANSFERA
SE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		6 / 12 MET A  56
ASP A 101
TYR A 113
VAL A 115
ASN A 117
ARG A 233
 MET  A  56 (-0.0A)
ASP  A 101 (-0.6A)
TYR  A 113 ( 1.3A)
VAL  A 115 (-0.6A)
ASN  A 117 (-0.6A)
ARG  A 233 (-0.6A)
 1.11A 3a8iA-1wsvA:
46.8		 3a8iA-1wsvA:
33.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A8I_B_C2FB401_0
(AMINOMETHYLTRANSFERA
SE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		8 / 12 MET A  56
ASP A 101
ILE A 103
VAL A 115
ASN A 117
TYR A 197
ARG A 233
TRP A 262
 MET  A  56 (-0.0A)
ASP  A 101 (-0.6A)
ILE  A 103 (-0.7A)
VAL  A 115 (-0.6A)
ASN  A 117 (-0.6A)
TYR  A 197 (-1.3A)
ARG  A 233 (-0.6A)
TRP  A 262 ( 0.5A)
 0.32A 3a8iB-1wsvA:
46.2		 3a8iB-1wsvA:
33.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A8I_B_C2FB401_0
(AMINOMETHYLTRANSFERA
SE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		6 / 12 MET A  56
ASP A 101
TYR A 113
VAL A 115
ASN A 117
ARG A 233
 MET  A  56 (-0.0A)
ASP  A 101 (-0.6A)
TYR  A 113 ( 1.3A)
VAL  A 115 (-0.6A)
ASN  A 117 (-0.6A)
ARG  A 233 (-0.6A)
 1.12A 3a8iB-1wsvA:
46.2		 3a8iB-1wsvA:
33.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A8I_D_C2FD401_0
(AMINOMETHYLTRANSFERA
SE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		8 / 12 MET A  56
ASP A 101
ILE A 103
VAL A 115
ASN A 117
TYR A 197
ARG A 233
TRP A 262
 MET  A  56 (-0.0A)
ASP  A 101 (-0.6A)
ILE  A 103 (-0.7A)
VAL  A 115 (-0.6A)
ASN  A 117 (-0.6A)
TYR  A 197 (-1.3A)
ARG  A 233 (-0.6A)
TRP  A 262 ( 0.5A)
 0.39A 3a8iD-1wsvA:
46.3		 3a8iD-1wsvA:
33.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A8I_D_C2FD401_0
(AMINOMETHYLTRANSFERA
SE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		7 / 12 MET A  56
ASP A 101
TYR A 113
VAL A 115
ASN A 117
TYR A 197
ARG A 233
 MET  A  56 (-0.0A)
ASP  A 101 (-0.6A)
TYR  A 113 ( 1.3A)
VAL  A 115 (-0.6A)
ASN  A 117 (-0.6A)
TYR  A 197 (-1.3A)
ARG  A 233 (-0.6A)
 1.12A 3a8iD-1wsvA:
46.3		 3a8iD-1wsvA:
33.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ARQ_A_DM5A606_1
(CHITINASE A)		 5gpr CHITINASE
(Ostrinia
furnacalis) 		6 / 6 TRP A 268
LYS A 362
ASP A 384
TRP A 389
TYR A 411
ARG A 439
 TRP  A 268 ( 0.5A)
LYS  A 362 ( 0.0A)
ASP  A 384 ( 0.5A)
TRP  A 389 (-0.5A)
TYR  A 411 ( 1.3A)
ARG  A 439 ( 0.6A)
 0.55A 3arqA-5gprA:
55.3		 3arqA-5gprA:
50.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ARR_A_PNXA606_1
(CHITINASE A)		 5gpr CHITINASE
(Ostrinia
furnacalis) 		7 / 7 TRP A 268
GLY A 359
LYS A 362
ASP A 384
TRP A 389
TYR A 411
ARG A 439
 TRP  A 268 ( 0.5A)
GLY  A 359 ( 0.0A)
LYS  A 362 ( 0.0A)
ASP  A 384 ( 0.5A)
TRP  A 389 (-0.5A)
TYR  A 411 ( 1.3A)
ARG  A 439 ( 0.6A)
 0.46A 3arrA-5gprA:
56.4		 3arrA-5gprA:
50.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ARU_A_PNXA606_1
(CHITINASE A)		 1rrv GLYCOSYLTRANSFERASE
GTFD
(Amycolatopsis
orientalis) 		4 / 7 PHE A 232
GLY A 236
ASP A 287
ARG A 264
 PHE  A 232 ( 1.3A)
GLY  A 236 ( 0.0A)
ASP  A 287 ( 0.5A)
ARG  A 264 ( 0.6A)
 1.02A 3aruA-1rrvA:
undetectable		 3aruA-1rrvA:
22.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ARU_A_PNXA606_1
(CHITINASE A)		 5gpr CHITINASE
(Ostrinia
furnacalis) 		7 / 7 PHE A 309
GLY A 359
LYS A 362
ASP A 384
TRP A 389
TYR A 411
ARG A 439
 PHE  A 309 ( 1.3A)
GLY  A 359 ( 0.0A)
LYS  A 362 ( 0.0A)
ASP  A 384 ( 0.5A)
TRP  A 389 (-0.5A)
TYR  A 411 ( 1.3A)
ARG  A 439 ( 0.6A)
 0.46A 3aruA-5gprA:
56.0		 3aruA-5gprA:
50.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ARU_A_PNXA608_1
(CHITINASE A)		 5gpr CHITINASE
(Ostrinia
furnacalis) 		5 / 6 TRP A 160
SER A 203
ALA A 206
HIS A 222
ASP A 223
 TRP  A 160 ( 0.5A)
SER  A 203 ( 0.0A)
ALA  A 206 ( 0.0A)
HIS  A 222 ( 1.0A)
ASP  A 223 ( 0.5A)
 0.57A 3aruA-5gprA:
56.0		 3aruA-5gprA:
50.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AVP_A_MV2A313_1
(PANTOTHENATE KINASE)		 3k5s CADHERIN-13
(Gallus
gallus) 		4 / 7 VAL A  97
ASP A 102
TYR A  73
ILE A  49
 VAL  A  97 ( 0.6A)
ASP  A 102 ( 0.6A)
TYR  A  73 ( 1.3A)
ILE  A  49 ( 0.6A)
 0.79A 3avpA-3k5sA:
undetectable		 3avpA-3k5sA:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BBT_B_FMMB91_1
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4)		 5d7a TRAF2 AND
NCK-INTERACTING
PROTEIN KINASE
(Homo
sapiens) 		6 / 12 VAL A  39
ALA A  52
GLY A 111
LEU A 160
ASP A 171
PHE A 172
 VAL  A  39 (-0.6A)
ALA  A  52 (-0.0A)
GLY  A 111 (-0.0A)
LEU  A 160 (-0.6A)
ASP  A 171 ( 0.5A)
PHE  A 172 ( 1.3A)
 0.55A 3bbtB-5d7aA:
24.1		 3bbtB-5d7aA:
25.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BBT_D_FMMD91_1
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4)		 5d7a TRAF2 AND
NCK-INTERACTING
PROTEIN KINASE
(Homo
sapiens) 		7 / 12 VAL A  39
ALA A  52
LEU A 103
GLY A 111
LEU A 160
ASP A 171
PHE A 172
 VAL  A  39 (-0.6A)
ALA  A  52 (-0.0A)
LEU  A 103 ( 0.6A)
GLY  A 111 (-0.0A)
LEU  A 160 (-0.6A)
ASP  A 171 ( 0.5A)
PHE  A 172 ( 1.3A)
 0.76A 3bbtD-5d7aA:
24.7		 3bbtD-5d7aA:
25.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BJ8_C_SPMC500_1
(DIAMINE
ACETYLTRANSFERASE 1)		 3qvi HISTO-ASPARTIC
PROTEASE
(Plasmodium
falciparum) 		4 / 6 ASP A 134
ASP A 127
LEU A 188
HIS A 186
 ASP  A 134 ( 0.6A)
ASP  A 127 ( 0.6A)
LEU  A 188 ( 0.5A)
HIS  A 186 ( 1.0A)
 0.78A 3bj8C-3qviA:
undetectable
3bj8D-3qviA:
undetectable		 3bj8C-3qviA:
17.18
3bj8D-3qviA:
17.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BJW_G_SVRG506_2
(PHOSPHOLIPASE A2)		 5w25 ASPARTATE--TRNA(ASP/
ASN) LIGASE
(Mycobacterium
tuberculosis) 		4 / 5 VAL A 422
VAL A 423
PHE A 419
ARG A 492
 None
None
None
ASP  A 701 (-2.9A)
 1.31A 3bjwB-5w25A:
undetectable		 3bjwB-5w25A:
11.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BOG_C_DHIC8_0
(6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN)		 2f5x BUGD
(Bordetella
pertussis) 		3 / 3 SER A 139
GLY A 134
GLY A 161
 ASP  A 901 (-2.7A)
None
ASP  A 901 (-3.2A)
 0.52A 3bogA-2f5xA:
undetectable
3bogC-2f5xA:
undetectable		 3bogA-2f5xA:
undetectable
3bogC-2f5xA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BRF_A_SORA1_0
(LIN-12 AND GLP-1
PHENOTYPE PROTEIN 1,
ISOFORM A)		 4o48 UNCHARACTERIZED
PROTEIN
(Cavia
porcellus) 		3 / 3 GLY A 198
ASP A  78
SER A  93
 ASP  A 402 ( 3.9A)
None
None
 0.39A 3brfA-4o48A:
undetectable		 3brfA-4o48A:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BWC_B_SAMB501_0
(SPERMIDINE SYNTHASE)		 3r64 NAD DEPENDENT
BENZALDEHYDE
DEHYDROGENASE
(Corynebacterium
glutamicum) 		5 / 12 ILE A 219
GLY A 220
VAL A 240
GLY A 214
ASP A 221
 ILE  A 219 ( 0.4A)
GLY  A 220 ( 0.0A)
VAL  A 240 ( 0.6A)
GLY  A 214 ( 0.0A)
ASP  A 221 ( 0.6A)
 1.03A 3bwcB-3r64A:
2.5		 3bwcB-3r64A:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_B_SHHB301_1
(HISTONE DEACETYLASE
7A)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		4 / 8 HIS A 366
HIS A 411
ASP A 102
GLY A 375
 HIS  A 366 ( 1.0A)
HIS  A 411 (-1.0A)
ASP  A 102 ( 0.6A)
GLY  A 375 ( 0.0A)
 0.87A 3c0zB-2nvvA:
undetectable		 3c0zB-2nvvA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CL9_A_MTXA602_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE (DHFR-TS))		 2v25 MAJOR CELL-BINDING
FACTOR
(Campylobacter
jejuni) 		5 / 12 ILE A 104
THR A 132
PHE A 153
PRO A 154
TYR A 198
 None
ASP  A1234 (-3.4A)
None
None
None
 1.28A 3cl9A-2v25A:
undetectable		 3cl9A-2v25A:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CV9_A_VDXA501_1
(CYTOCHROME P450-SU1)		 5b5u L-ASPARAGINASE
(Pyrococcus
furiosus) 		5 / 9 THR A  80
VAL A 140
SER A 165
ILE A  12
GLY A  82
 None
None
GOL  A 207 (-4.6A)
None
ASP  A 201 (-3.1A)
 1.17A 3cv9A-5b5uA:
undetectable		 3cv9A-5b5uA:
16.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3D1Z_B_017B201_2
(HIV-1 PROTEASE)		 2vbf BRANCHED-CHAIN
ALPHA-KETOACID
DECARBOXYLASE
(Lactococcus
lactis) 		5 / 12 LEU A 295
ALA A 273
ASP A 274
ILE A 236
ILE A 276
 LEU  A 295 ( 0.6A)
ALA  A 273 ( 0.0A)
ASP  A 274 ( 0.6A)
ILE  A 236 ( 0.6A)
ILE  A 276 ( 0.6A)
 1.07A 3d1zB-2vbfA:
undetectable		 3d1zB-2vbfA:
11.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DH0_A_SAMA220_1
(SAM DEPENDENT
METHYLTRANSFERASE)		 5c6d UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 7
E3 UBIQUITIN-PROTEIN
LIGASE UHRF1
(Homo
sapiens;
Homo
sapiens) 		4 / 8 LYS C 657
ASP A 764
MET A 761
GLU A 744
 LYS  C 657 ( 0.0A)
ASP  A 764 ( 0.6A)
MET  A 761 ( 0.0A)
GLU  A 744 ( 0.6A)
 1.42A 3dh0A-5c6dC:
undetectable		 3dh0A-5c6dC:
8.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DMH_A_SAMA384_1
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)		 1omo ALANINE
DEHYDROGENASE
(Archaeoglobus
fulgidus) 		3 / 3 SER A 186
GLU A 249
ASP A 219
 SER  A 186 ( 0.0A)
GLU  A 249 (-0.6A)
ASP  A 219 (-0.5A)
 0.63A 3dmhA-1omoA:
5.2		 3dmhA-1omoA:
24.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DMH_A_SAMA384_1
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)		 1vho ENDOGLUCANASE
(Thermotoga
maritima) 		3 / 3 SER A 174
GLU A 274
ASP A 236
 SER  A 174 ( 0.0A)
GLU  A 274 ( 0.6A)
ASP  A 236 ( 0.6A)
 0.79A 3dmhA-1vhoA:
undetectable		 3dmhA-1vhoA:
25.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DMH_A_SAMA384_1
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		3 / 3 SER A 493
GLU A 330
ASP A 259
 SER  A 493 ( 0.0A)
GLU  A 330 ( 0.5A)
ASP  A 259 ( 0.6A)
 0.72A 3dmhA-4flxA:
undetectable		 3dmhA-4flxA:
20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DOU_A_SAMA1_1
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J)		 2qvs CAMP-DEPENDENT
PROTEIN KINASE TYPE
II-ALPHA REGULATORY
SUBUNIT
(Mus
musculus) 		3 / 3 ASP B 181
ASP B 197
ASP B 159
 ASP  B 181 ( 0.5A)
ASP  B 197 ( 0.6A)
ASP  B 159 ( 0.5A)
 0.70A 3douA-2qvsB:
undetectable		 3douA-2qvsB:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_C_SAMC300_1
(PUTATIVE RRNA
METHYLASE)		 4mwt LYSOSOMAL PROTECTIVE
PROTEIN
(Homo
sapiens) 		3 / 3 ASN A 305
ASP A 332
GLN A 330
 ASN  A 305 (-0.6A)
ASP  A 332 ( 0.5A)
GLN  A 330 ( 0.6A)
 0.81A 3eeyC-4mwtA:
undetectable		 3eeyC-4mwtA:
19.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_C_SAMC300_1
(PUTATIVE RRNA
METHYLASE)		 5hiu GTPASE
ACTIVATOR-LIKE
PROTEIN
(Chaetomium
thermophilum) 		3 / 3 ASN A 366
ASP A 378
GLN A 320
 ASN  A 366 ( 0.6A)
ASP  A 378 ( 0.6A)
GLN  A 320 ( 0.6A)
 0.84A 3eeyC-5hiuA:
undetectable		 3eeyC-5hiuA:
18.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_D_SAMD300_1
(PUTATIVE RRNA
METHYLASE)		 4mwt LYSOSOMAL PROTECTIVE
PROTEIN
(Homo
sapiens) 		3 / 3 ASN A 305
ASP A 332
GLN A 330
 ASN  A 305 (-0.6A)
ASP  A 332 ( 0.5A)
GLN  A 330 ( 0.6A)
 0.80A 3eeyD-4mwtA:
undetectable		 3eeyD-4mwtA:
19.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_E_SAME300_1
(PUTATIVE RRNA
METHYLASE)		 4mwt LYSOSOMAL PROTECTIVE
PROTEIN
(Homo
sapiens) 		3 / 3 ASN A 305
ASP A 332
GLN A 330
 ASN  A 305 (-0.6A)
ASP  A 332 ( 0.5A)
GLN  A 330 ( 0.6A)
 0.80A 3eeyE-4mwtA:
undetectable		 3eeyE-4mwtA:
19.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_E_SAME300_1
(PUTATIVE RRNA
METHYLASE)		 5hiu GTPASE
ACTIVATOR-LIKE
PROTEIN
(Chaetomium
thermophilum) 		3 / 3 ASN A 366
ASP A 378
GLN A 320
 ASN  A 366 ( 0.6A)
ASP  A 378 ( 0.6A)
GLN  A 320 ( 0.6A)
 0.82A 3eeyE-5hiuA:
undetectable		 3eeyE-5hiuA:
18.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_I_SAMI300_0
(PUTATIVE RRNA
METHYLASE)		 5w6l RTX
REPEAT-CONTAINING
CYTOTOXIN
(Vibrio
vulnificus) 		5 / 12 GLY A3895
ASP A4049
ILE A3898
GLY A3899
LEU A3890
 GLY  A3895 ( 0.0A)
ASP  A4049 ( 0.6A)
ILE  A3898 ( 0.7A)
GLY  A3899 ( 0.0A)
LEU  A3890 ( 0.6A)
 1.14A 3eeyI-5w6lA:
undetectable		 3eeyI-5w6lA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_J_SAMJ300_0
(PUTATIVE RRNA
METHYLASE)		 5w6l RTX
REPEAT-CONTAINING
CYTOTOXIN
(Vibrio
vulnificus) 		5 / 12 GLY A3895
ASP A4049
ILE A3898
GLY A3899
LEU A3890
 GLY  A3895 ( 0.0A)
ASP  A4049 ( 0.6A)
ILE  A3898 ( 0.7A)
GLY  A3899 ( 0.0A)
LEU  A3890 ( 0.6A)
 1.12A 3eeyJ-5w6lA:
undetectable		 3eeyJ-5w6lA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EM4_A_DR7A100_2
(PROTEASE)		 4kqn D-HYDANTOINASE
(Bacillus
sp.
AR9) 		5 / 9 ALA A 391
ASP A 390
GLY A 383
VAL A  50
ILE A 393
 ALA  A 391 ( 0.0A)
ASP  A 390 ( 0.6A)
GLY  A 383 ( 0.0A)
VAL  A  50 ( 0.6A)
ILE  A 393 ( 0.4A)
 1.21A 3em4B-4kqnA:
undetectable		 3em4B-4kqnA:
13.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EM6_A_017A200_1
(PROTEASE)		 1wqa PHOSPHO-SUGAR MUTASE
(Pyrococcus
horikoshii) 		4 / 8 GLY A 235
ALA A 236
ASP A 237
VAL A 204
 GLY  A 235 ( 0.0A)
ALA  A 236 ( 0.0A)
ASP  A 237 ( 0.5A)
VAL  A 204 ( 0.6A)
 0.61A 3em6A-1wqaA:
undetectable		 3em6A-1wqaA:
13.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EYG_A_MI1A1_1
(TYROSINE-PROTEIN
KINASE)		 5d7a TRAF2 AND
NCK-INTERACTING
PROTEIN KINASE
(Homo
sapiens) 		9 / 12 GLY A  32
GLY A  34
GLY A  37
VAL A  39
LYS A  54
SER A 112
ASN A 158
LEU A 160
ASP A 171
 GLY  A  32 ( 0.0A)
GLY  A  34 ( 0.0A)
GLY  A  37 ( 0.0A)
VAL  A  39 (-0.6A)
LYS  A  54 ( 0.0A)
SER  A 112 (-0.0A)
ASN  A 158 ( 0.6A)
LEU  A 160 (-0.6A)
ASP  A 171 ( 0.5A)
 0.94A 3eygA-5d7aA:
24.2		 3eygA-5d7aA:
27.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EYG_A_MI1A1_1
(TYROSINE-PROTEIN
KINASE)		 5d7a TRAF2 AND
NCK-INTERACTING
PROTEIN KINASE
(Homo
sapiens) 		9 / 12 GLY A  32
GLY A  37
VAL A  39
ALA A  52
LYS A  54
SER A 112
ASN A 158
LEU A 160
ASP A 171
 GLY  A  32 ( 0.0A)
GLY  A  37 ( 0.0A)
VAL  A  39 (-0.6A)
ALA  A  52 (-0.0A)
LYS  A  54 ( 0.0A)
SER  A 112 (-0.0A)
ASN  A 158 ( 0.6A)
LEU  A 160 (-0.6A)
ASP  A 171 ( 0.5A)
 0.71A 3eygA-5d7aA:
24.2		 3eygA-5d7aA:
27.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FRB_X_TOPX300_1
(DIHYDROFOLATE
REDUCTASE)		 1rrv GLYCOSYLTRANSFERASE
GTFD
(Amycolatopsis
orientalis) 		5 / 11 ASP A 199
LEU A 202
VAL A 201
ILE A 346
THR A 385
 ASP  A 199 ( 0.5A)
LEU  A 202 ( 0.6A)
VAL  A 201 ( 0.6A)
ILE  A 346 ( 0.7A)
THR  A 385 ( 0.8A)
 1.11A 3frbX-1rrvA:
undetectable		 3frbX-1rrvA:
16.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FWF_A_CAMA420_0
(CAMPHOR
5-MONOOXYGENASE)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 7 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 1.01A 3fwfA-5lmxC:
undetectable		 3fwfA-5lmxC:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FWF_B_CAMB420_0
(CAMPHOR
5-MONOOXYGENASE)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 7 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 1.03A 3fwfB-5lmxC:
undetectable		 3fwfB-5lmxC:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FWG_A_CAMA420_0
(CAMPHOR
5-MONOOXYGENASE)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 6 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 1.03A 3fwgA-5lmxC:
undetectable		 3fwgA-5lmxC:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FWG_B_CAMB420_0
(CAMPHOR
5-MONOOXYGENASE)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 7 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 1.00A 3fwgB-5lmxC:
undetectable		 3fwgB-5lmxC:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FWJ_A_CAMA420_0
(CAMPHOR
5-MONOOXYGENASE)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 7 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 1.02A 3fwjA-5lmxC:
undetectable		 3fwjA-5lmxC:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G4L_A_ROFA901_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 2pk2 CYCLIN-T1, PROTEIN
TAT
(Homo
sapiens;
Equine
infectious
anemia
virus) 		3 / 3 ASP A  32
LEU A  35
GLN A 190
 ASP  A  32 ( 0.6A)
LEU  A  35 ( 0.6A)
GLN  A 190 ( 0.6A)
 0.59A 3g4lA-2pk2A:
undetectable		 3g4lA-2pk2A:
21.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G4L_A_ROFA901_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		3 / 3 ASP A 318
LEU A 319
GLN A 369
 ASP  A 318 (-0.5A)
LEU  A 319 ( 0.6A)
GLN  A 369 (-0.6A)
 0.34A 3g4lA-3sl5A:
53.4		 3g4lA-3sl5A:
98.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G4L_B_ROFB902_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		12 / 12 TYR A 159
HIS A 160
MET A 273
ASP A 318
LEU A 319
PRO A 322
TRP A 332
THR A 333
ILE A 336
MET A 337
MET A 357
PHE A 372
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
MET  A 273 (-0.0A)
ASP  A 318 (-0.5A)
LEU  A 319 ( 0.6A)
PRO  A 322 (-1.1A)
TRP  A 332 ( 0.5A)
THR  A 333 ( 0.8A)
ILE  A 336 ( 0.4A)
MET  A 337 ( 0.0A)
MET  A 357 (-0.0A)
PHE  A 372 (-1.3A)
 0.53A 3g4lB-3sl5A:
52.8		 3g4lB-3sl5A:
98.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G4L_C_ROFC903_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		12 / 12 TYR A 159
HIS A 160
MET A 273
ASP A 318
LEU A 319
ASN A 321
PRO A 322
TYR A 329
TRP A 332
THR A 333
ILE A 336
MET A 357
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
MET  A 273 (-0.0A)
ASP  A 318 (-0.5A)
LEU  A 319 ( 0.6A)
ASN  A 321 (-0.6A)
PRO  A 322 (-1.1A)
TYR  A 329 (-1.3A)
TRP  A 332 ( 0.5A)
THR  A 333 ( 0.8A)
ILE  A 336 ( 0.4A)
MET  A 357 (-0.0A)
 0.46A 3g4lC-3sl5A:
53.0		 3g4lC-3sl5A:
98.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G4L_D_ROFD904_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		12 / 12 TYR A 159
HIS A 160
MET A 273
ASP A 318
LEU A 319
PRO A 322
TRP A 332
THR A 333
ILE A 336
MET A 337
SER A 368
GLN A 369
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
MET  A 273 (-0.0A)
ASP  A 318 (-0.5A)
LEU  A 319 ( 0.6A)
PRO  A 322 (-1.1A)
TRP  A 332 ( 0.5A)
THR  A 333 ( 0.8A)
ILE  A 336 ( 0.4A)
MET  A 337 ( 0.0A)
SER  A 368 (-0.0A)
GLN  A 369 (-0.6A)
 0.33A 3g4lD-3sl5A:
52.9		 3g4lD-3sl5A:
98.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G6M_A_CFFA1_1
(CHITINASE)		 5gpr CHITINASE
(Ostrinia
furnacalis) 		11 / 11 TYR A 156
PHE A 184
GLY A 267
TRP A 268
ASP A 306
GLU A 308
MET A 381
TYR A 383
ASP A 384
TYR A 437
TRP A 532
 TYR  A 156 ( 1.3A)
PHE  A 184 ( 1.3A)
GLY  A 267 ( 0.0A)
TRP  A 268 ( 0.5A)
ASP  A 306 ( 0.5A)
GLU  A 308 ( 0.6A)
MET  A 381 ( 0.0A)
TYR  A 383 ( 1.3A)
ASP  A 384 ( 0.5A)
TYR  A 437 ( 1.3A)
TRP  A 532 ( 0.5A)
 0.49A 3g6mA-5gprA:
7.2		 3g6mA-5gprA:
25.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G6M_A_CFFA427_1
(CHITINASE)		 5gpr CHITINASE
(Ostrinia
furnacalis) 		4 / 5 TRP A 268
MET A 381
ASP A 384
TRP A 389
 TRP  A 268 ( 0.5A)
MET  A 381 ( 0.0A)
ASP  A 384 ( 0.5A)
TRP  A 389 (-0.5A)
 0.75A 3g6mA-5gprA:
7.2		 3g6mA-5gprA:
25.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G7X_A_HSMA174_1
(FEMALE-SPECIFIC
HISTAMINE-BINDING
PROTEIN 2)		 2v25 MAJOR CELL-BINDING
FACTOR
(Campylobacter
jejuni) 		5 / 10 TYR A 156
GLU A  39
TYR A 198
ASP A 174
VAL A 173
 ASP  A1234 (-4.5A)
None
None
ASP  A1234 (-2.8A)
None
 1.46A 3g7xA-2v25A:
0.0		 3g7xA-2v25A:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G7X_B_HSMB176_1
(FEMALE-SPECIFIC
HISTAMINE-BINDING
PROTEIN 2)		 2v25 MAJOR CELL-BINDING
FACTOR
(Campylobacter
jejuni) 		5 / 10 TYR A 156
GLU A  39
TYR A 198
ASP A 174
VAL A 173
 ASP  A1234 (-4.5A)
None
None
ASP  A1234 (-2.8A)
None
 1.46A 3g7xB-2v25A:
0.0		 3g7xB-2v25A:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HCR_B_CHDB924_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3tvi ASPARTOKINASE
(Clostridium
acetobutylicum) 		4 / 7 LEU A  54
ARG A  77
SER A 187
GLY A  41
 None
None
ASP  A 451 (-2.2A)
None
 1.05A 3hcrB-3tviA:
2.3		 3hcrB-3tviA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IHZ_A_FK5A501_2
(70 KDA
PEPTIDYLPROLYL
ISOMERASE, PUTATIVE)		 3r6y ASPARTASE
(Bacillus
sp.
YM55-1) 		4 / 8 ASP A  93
GLY A 100
SER A 102
ILE A 103
 ASP  A  93 ( 0.5A)
GLY  A 100 ( 0.0A)
SER  A 102 ( 0.0A)
ILE  A 103 ( 0.6A)
 0.69A 3ihzB-3r6yA:
undetectable		 3ihzB-3r6yA:
17.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JAY_A_SAMA1102_1
(STRUCTURAL PROTEIN
VP3)		 5wm9 RV0078
(Mycobacterium
tuberculosis) 		3 / 3 ARG A 192
ASP A  91
ASP A 196
 ARG  A 192 ( 0.6A)
ASP  A  91 ( 0.6A)
ASP  A 196 ( 0.6A)
 0.90A 3jayA-5wm9A:
undetectable		 3jayA-5wm9A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K13_A_THHA642_1
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		 3r9r PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE
(Mycobacteroides
abscessus) 		3 / 3 ASN A 154
ASP A 152
ARG A 244
 ASN  A 154 ( 0.6A)
ASP  A 152 ( 0.6A)
ARG  A 244 ( 0.6A)
 0.83A 3k13A-3r9rA:
undetectable		 3k13A-3r9rA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K13_C_THHC643_0
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		 4o48 UNCHARACTERIZED
PROTEIN
(Cavia
porcellus) 		5 / 12 GLY A  11
GLY A 188
ASN A  62
PHE A  61
ILE A 189
 None
ASP  A 402 (-3.6A)
None
None
ASP  A 402 (-4.5A)
 1.29A 3k13C-4o48A:
undetectable		 3k13C-4o48A:
22.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K4V_B_ROCB201_1
(HIV-1 PROTEASE)		 2wlt L-ASPARAGINASE
(Helicobacter
pylori) 		5 / 12 LEU A  73
ASP A  64
GLY A  15
ILE A  17
VAL A  57
 None
None
ASP  A1333 (-3.2A)
None
None
 0.84A 3k4vA-2wltA:
undetectable		 3k4vA-2wltA:
16.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K4V_D_ROCD201_1
(HIV-1 PROTEASE)		 2vbf BRANCHED-CHAIN
ALPHA-KETOACID
DECARBOXYLASE
(Lactococcus
lactis) 		5 / 12 LEU A 295
ALA A 273
ASP A 274
ILE A 236
ILE A 276
 LEU  A 295 ( 0.6A)
ALA  A 273 ( 0.0A)
ASP  A 274 ( 0.6A)
ILE  A 236 ( 0.6A)
ILE  A 276 ( 0.6A)
 1.05A 3k4vC-2vbfA:
undetectable		 3k4vC-2vbfA:
11.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KL3_A_DHIA403_0
(GLUCURONOXYLANASE
XYNC)		 2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50
(Geobacillus
stearothermophil
us) 		4 / 4 GLY A  58
TYR A  86
GLY A  84
ASP A  83
 GLY  A  58 ( 0.0A)
TYR  A  86 ( 1.3A)
GLY  A  84 ( 0.0A)
ASP  A  83 ( 0.6A)
 1.06A 3kl3A-2ogsA:
2.2		 3kl3A-2ogsA:
23.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_B_TFPB202_1
(PROTEIN S100-A4)		 2j5b TYROSYL-TRNA
SYNTHETASE
(Acanthamoeba
polyphaga
mimivirus) 		3 / 3 GLU A 125
LEU A 128
ASP A 129
 GLU  A 125 ( 0.6A)
LEU  A 128 ( 0.6A)
ASP  A 129 ( 0.6A)
 0.31A 3ko0A-2j5bA:
undetectable		 3ko0A-2j5bA:
13.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_S_TFPS202_2
(PROTEIN S100-A4)		 2j5b TYROSYL-TRNA
SYNTHETASE
(Acanthamoeba
polyphaga
mimivirus) 		3 / 3 GLU A 125
LEU A 128
ASP A 129
 GLU  A 125 ( 0.6A)
LEU  A 128 ( 0.6A)
ASP  A 129 ( 0.6A)
 0.24A 3ko0T-2j5bA:
undetectable		 3ko0T-2j5bA:
13.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KU9_B_SPMB700_1
(POLYAMINE OXIDASE)		 1y79 PEPTIDYL-DIPEPTIDASE
DCP
(Escherichia
coli) 		4 / 7 GLU 1 549
TYR 1 598
TYR 1 594
TYR 1 611
 None
None
ASP  1 704 (-4.1A)
ASP  1 704 (-4.7A)
 1.27A 3ku9B-1y791:
undetectable		 3ku9B-1y791:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LM8_A_VIBA223_1
(THIAMINE
PYROPHOSPHOKINASE)		 5w6l RTX
REPEAT-CONTAINING
CYTOTOXIN
(Vibrio
vulnificus) 		4 / 7 LEU A3825
LEU A3837
SER A3832
ASP A3838
 LEU  A3825 ( 0.6A)
LEU  A3837 ( 0.5A)
SER  A3832 ( 0.0A)
ASP  A3838 ( 0.6A)
 1.02A 3lm8A-5w6lA:
undetectable
3lm8C-5w6lA:
undetectable		 3lm8A-5w6lA:
21.31
3lm8C-5w6lA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LM8_C_VIBC223_1
(THIAMINE
PYROPHOSPHOKINASE)		 5e37 EF-HAND
DOMAIN-CONTAINING
THIOREDOXIN
(Chlamydomonas
reinhardtii) 		4 / 8 ASP A 102
LEU A 104
SER A 176
ASN A 175
 ASP  A 102 ( 0.5A)
LEU  A 104 ( 0.6A)
SER  A 176 ( 0.0A)
ASN  A 175 ( 0.6A)
 0.98A 3lm8A-5e37A:
undetectable
3lm8C-5e37A:
undetectable		 3lm8A-5e37A:
21.21
3lm8C-5e37A:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LM8_D_VIBD223_1
(THIAMINE
PYROPHOSPHOKINASE)		 5w6l RTX
REPEAT-CONTAINING
CYTOTOXIN
(Vibrio
vulnificus) 		4 / 8 ASP A3838
LEU A3825
LEU A3837
SER A3832
 ASP  A3838 ( 0.6A)
LEU  A3825 ( 0.6A)
LEU  A3837 ( 0.5A)
SER  A3832 ( 0.0A)
 0.93A 3lm8B-5w6lA:
undetectable
3lm8D-5w6lA:
undetectable		 3lm8B-5w6lA:
21.31
3lm8D-5w6lA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LOQ_A_ACTA277_0
(UNIVERSAL STRESS
PROTEIN)		 1omo ALANINE
DEHYDROGENASE
(Archaeoglobus
fulgidus) 		3 / 3 ASP A 239
SER A 290
ARG A 108
 ASP  A 239 ( 0.5A)
SER  A 290 (-0.0A)
ARG  A 108 (-0.6A)
 0.97A 3loqA-1omoA:
4.0		 3loqA-1omoA:
24.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LOQ_A_ACTA277_0
(UNIVERSAL STRESS
PROTEIN)		 1wqa PHOSPHO-SUGAR MUTASE
(Pyrococcus
horikoshii) 		3 / 3 ASP A 245
SER A 101
ARG A 248
 ASP  A 245 (-0.6A)
SER  A 101 (-0.0A)
ARG  A 248 (-0.6A)
 0.88A 3loqA-1wqaA:
2.5		 3loqA-1wqaA:
23.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LZV_A_017A200_1
(HIV-1 PROTEASE)		 2jk0 L-ASPARAGINASE
(Pectobacterium
carotovorum) 		5 / 10 LEU A  73
ASN A  64
GLY A  14
ILE A  16
VAL A  57
 None
None
ASP  A1328 (-3.2A)
None
None
 0.87A 3lzvA-2jk0A:
undetectable		 3lzvA-2jk0A:
15.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3M0W_E_P77E203_1
(PROTEIN S100-A4)		 2an1 PUTATIVE KINASE
(Salmonella
enterica) 		4 / 8 PHE A 170
SER A 173
LEU A 231
ASP A 257
 PHE  A 170 ( 1.3A)
SER  A 173 ( 0.0A)
LEU  A 231 ( 0.5A)
ASP  A 257 ( 0.6A)
 1.06A 3m0wE-2an1A:
undetectable
3m0wF-2an1A:
undetectable
3m0wG-2an1A:
undetectable
3m0wH-2an1A:
undetectable		 3m0wE-2an1A:
13.79
3m0wF-2an1A:
13.79
3m0wG-2an1A:
13.79
3m0wH-2an1A:
13.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MB5_A_SAMA301_1
(SAM-DEPENDENT
METHYLTRANSFERASE)		 5gpr CHITINASE
(Ostrinia
furnacalis) 		4 / 4 GLY A 539
GLU A 140
ASP A 535
ASP A 540
 GLY  A 539 ( 0.0A)
GLU  A 140 ( 0.6A)
ASP  A 535 ( 0.6A)
ASP  A 540 ( 0.5A)
 1.26A 3mb5A-5gprA:
undetectable		 3mb5A-5gprA:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MG0_N_BO2N1404_1
(PROTEASOME COMPONENT
PRE3)		 2zal L-ASPARAGINASE
(Escherichia
coli) 		5 / 11 THR B 230
THR B 195
ALA A  84
GLY A  10
SER B 228
 ASP  B 501 ( 3.8A)
None
None
None
None
 1.18A 3mg0N-2zalB:
5.2		 3mg0N-2zalB:
24.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MG0_N_BO2N1404_1
(PROTEASOME COMPONENT
PRE3)		 4o48 UNCHARACTERIZED
PROTEIN
(Cavia
porcellus) 		5 / 11 THR A 219
THR A 184
ALA A  79
GLY A   9
SER A 217
 ASP  A 402 (-3.7A)
None
None
None
None
 1.20A 3mg0N-4o48A:
2.1		 3mg0N-4o48A:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MG0_N_BO2N1404_1
(PROTEASOME COMPONENT
PRE3)		 4pu6 L-ASPARAGINASE ALPHA
SUBUNIT
L-ASPARAGINASE BETA
SUBUNIT
(Phaseolus
vulgaris) 		5 / 11 THR B 246
THR B 212
ALA A  82
GLY A  10
SER B 244
 ASP  B 501 (-3.6A)
None
None
None
None
 1.14A 3mg0N-4pu6B:
5.3		 3mg0N-4pu6B:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MJR_A_AC2A301_1
(DEOXYCYTIDINE KINASE)		 5cdn DNA GYRASE SUBUNIT A
(Staphylococcus
aureus) 		5 / 9 ILE A 458
GLU A 472
ARG A 137
ASP A 138
LEU A 455
 ILE  A 458 ( 0.6A)
GLU  A 472 ( 0.6A)
ARG  A 137 ( 0.6A)
ASP  A 138 ( 0.6A)
LEU  A 455 ( 0.6A)
 1.44A 3mjrA-5cdnA:
undetectable		 3mjrA-5cdnA:
19.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N23_C_OBNC1_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		5 / 11 ASP A  88
ASN A  86
LEU A  89
VAL A  77
ALA A  76
 ASP  A  88 ( 0.5A)
ASN  A  86 ( 0.6A)
LEU  A  89 ( 0.6A)
VAL  A  77 ( 0.6A)
ALA  A  76 ( 0.0A)
 1.24A 3n23C-2nvvA:
undetectable		 3n23C-2nvvA:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NMU_F_SAMF228_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE
NOP5/NOP56 RELATED
PROTEIN)		 5ep8 PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE
(Bacillus
subtilis) 		5 / 12 GLY A 203
ALA A 204
ASP A 213
ALA A 214
ASP A 238
 GLY  A 203 ( 0.0A)
ALA  A 204 ( 0.0A)
ASP  A 213 ( 0.6A)
ALA  A 214 ( 0.0A)
ASP  A 238 ( 0.6A)
 1.35A 3nmuA-5ep8A:
undetectable
3nmuF-5ep8A:
undetectable		 3nmuA-5ep8A:
23.25
3nmuF-5ep8A:
18.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NRR_A_D16A520_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 1c8x ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE H
(Streptomyces
plicatus) 		5 / 12 ALA A 205
ASP A 183
LEU A 177
ILE A 165
LEU A 167
 ALA  A 205 ( 0.0A)
ASP  A 183 ( 0.6A)
LEU  A 177 ( 0.6A)
ILE  A 165 ( 0.8A)
LEU  A 167 ( 0.5A)
 1.15A 3nrrA-1c8xA:
undetectable		 3nrrA-1c8xA:
17.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NRR_B_D16B520_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 1c8x ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE H
(Streptomyces
plicatus) 		5 / 12 ALA A 205
ASP A 183
LEU A 177
ILE A 165
LEU A 167
 ALA  A 205 ( 0.0A)
ASP  A 183 ( 0.6A)
LEU  A 177 ( 0.6A)
ILE  A 165 ( 0.8A)
LEU  A 167 ( 0.5A)
 1.13A 3nrrB-1c8xA:
undetectable		 3nrrB-1c8xA:
17.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NU6_B_478B401_2
(PROTEASE)		 2vbf BRANCHED-CHAIN
ALPHA-KETOACID
DECARBOXYLASE
(Lactococcus
lactis) 		5 / 10 LEU A 295
ALA A 273
ASP A 274
ILE A 236
ILE A 276
 LEU  A 295 ( 0.6A)
ALA  A 273 ( 0.0A)
ASP  A 274 ( 0.6A)
ILE  A 236 ( 0.6A)
ILE  A 276 ( 0.6A)
 1.05A 3nu6B-2vbfA:
undetectable		 3nu6B-2vbfA:
11.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NU9_A_478A401_1
(PROTEASE)		 1fgv H52 FV (HEAVY CHAIN)
(Homo
sapiens) 		4 / 8 ASP H  62
VAL H  64
GLY H  50
ILE H  51
 ASP  H  62 ( 0.5A)
VAL  H  64 ( 0.6A)
GLY  H  50 ( 0.0A)
ILE  H  51 ( 0.7A)
 0.77A 3nu9A-1fgvH:
undetectable		 3nu9A-1fgvH:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NVK_I_SAMI228_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		 5xlu GAMMA GLUTAMYL
TRANSPEPTIDASE
(Bacillus
licheniformis) 		5 / 12 ALA A 235
ILE A 245
ASP A 247
ALA A 246
ASP A 238
 ALA  A 235 ( 0.0A)
ILE  A 245 ( 0.6A)
ASP  A 247 ( 0.6A)
ALA  A 246 ( 0.0A)
ASP  A 238 ( 0.5A)
 1.10A 3nvkI-5xluA:
undetectable		 3nvkI-5xluA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NVK_J_SAMJ228_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE
NOP5/NOP56 RELATED
PROTEIN)		 3h7a SHORT CHAIN
DEHYDROGENASE
(Rhodopseudomonas
palustris) 		5 / 12 GLY A  12
ALA A  13
ASP A  62
ALA A  63
VAL A  89
 GLY  A  12 ( 0.0A)
ALA  A  13 ( 0.0A)
ASP  A  62 ( 0.6A)
ALA  A  63 ( 0.0A)
VAL  A  89 ( 0.6A)
 1.18A 3nvkF-3h7aA:
undetectable
3nvkJ-3h7aA:
8.0		 3nvkF-3h7aA:
23.30
3nvkJ-3h7aA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NVK_J_SAMJ228_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE
NOP5/NOP56 RELATED
PROTEIN)		 5ep8 PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE
(Bacillus
subtilis) 		5 / 12 GLY A 203
ALA A 204
ASP A 213
ALA A 214
ASP A 238
 GLY  A 203 ( 0.0A)
ALA  A 204 ( 0.0A)
ASP  A 213 ( 0.6A)
ALA  A 214 ( 0.0A)
ASP  A 238 ( 0.6A)
 1.26A 3nvkF-5ep8A:
undetectable
3nvkJ-5ep8A:
undetectable		 3nvkF-5ep8A:
23.03
3nvkJ-5ep8A:
18.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3O7W_A_SAMA801_0
(LEUCINE CARBOXYL
METHYLTRANSFERASE 1)		 3h7a SHORT CHAIN
DEHYDROGENASE
(Rhodopseudomonas
palustris) 		5 / 12 GLY A  12
GLY A  14
ASP A  62
ARG A  64
VAL A  89
 GLY  A  12 ( 0.0A)
GLY  A  14 ( 0.0A)
ASP  A  62 ( 0.6A)
ARG  A  64 ( 0.6A)
VAL  A  89 ( 0.6A)
 0.98A 3o7wA-3h7aA:
undetectable		 3o7wA-3h7aA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3O94_A_NCAA192_0
(NICOTINAMIDASE)		 5d7a TRAF2 AND
NCK-INTERACTING
PROTEIN KINASE
(Homo
sapiens) 		5 / 11 ASP A  14
GLU A  63
LEU A  18
ILE A  90
SER A  16
 ASP  A  14 ( 0.6A)
GLU  A  63 ( 0.6A)
LEU  A  18 ( 0.6A)
ILE  A  90 ( 0.7A)
SER  A  16 ( 0.0A)
 1.21A 3o94A-5d7aA:
undetectable		 3o94A-5d7aA:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3O94_B_NCAB192_0
(NICOTINAMIDASE)		 5d7a TRAF2 AND
NCK-INTERACTING
PROTEIN KINASE
(Homo
sapiens) 		5 / 11 ASP A  14
GLU A  63
LEU A  18
ILE A  90
SER A  16
 ASP  A  14 ( 0.6A)
GLU  A  63 ( 0.6A)
LEU  A  18 ( 0.6A)
ILE  A  90 ( 0.7A)
SER  A  16 ( 0.0A)
 1.22A 3o94B-5d7aA:
undetectable		 3o94B-5d7aA:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3O94_C_NCAC192_0
(NICOTINAMIDASE)		 5d7a TRAF2 AND
NCK-INTERACTING
PROTEIN KINASE
(Homo
sapiens) 		5 / 11 ASP A  14
GLU A  63
LEU A  18
ILE A  90
SER A  16
 ASP  A  14 ( 0.6A)
GLU  A  63 ( 0.6A)
LEU  A  18 ( 0.6A)
ILE  A  90 ( 0.7A)
SER  A  16 ( 0.0A)
 1.21A 3o94C-5d7aA:
undetectable		 3o94C-5d7aA:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3O94_D_NCAD192_0
(NICOTINAMIDASE)		 5d7a TRAF2 AND
NCK-INTERACTING
PROTEIN KINASE
(Homo
sapiens) 		5 / 11 ASP A  14
GLU A  63
LEU A  18
ILE A  90
SER A  16
 ASP  A  14 ( 0.6A)
GLU  A  63 ( 0.6A)
LEU  A  18 ( 0.6A)
ILE  A  90 ( 0.7A)
SER  A  16 ( 0.0A)
 1.21A 3o94D-5d7aA:
undetectable		 3o94D-5d7aA:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OHT_A_1N1A2000_1
(P38A)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		5 / 12 ASP A   6
ILE A  18
VAL A 344
ALA A 117
TYR A 120
 ASP  A   6 (-0.5A)
ILE  A  18 ( 0.5A)
VAL  A 344 ( 0.5A)
ALA  A 117 ( 0.0A)
TYR  A 120 ( 1.3A)
 1.25A 3ohtA-4flxA:
2.2
3ohtB-4flxA:
undetectable		 3ohtA-4flxA:
19.16
3ohtB-4flxA:
19.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OU7_A_SAMA300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 6ezy -
(-) 		5 / 12 TYR A  77
GLY A  24
GLY A  81
ASP A  83
LEU A  84
 TYR  A  77 ( 1.3A)
GLY  A  24 ( 0.0A)
GLY  A  81 ( 0.0A)
ASP  A  83 ( 0.6A)
LEU  A  84 ( 0.5A)
 1.13A 3ou7A-6ezyA:
undetectable		 3ou7A-6ezyA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3P2K_A_SAMA6735_1
(16S RRNA METHYLASE)		 4mwt LYSOSOMAL PROTECTIVE
PROTEIN
(Homo
sapiens) 		3 / 3 ASP A 372
GLU A  69
SER A 189
 ASP  A 372 ( 0.6A)
GLU  A  69 ( 0.5A)
SER  A 189 ( 0.0A)
 0.70A 3p2kA-4mwtA:
undetectable		 3p2kA-4mwtA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3P97_C_SAMC263_0
(NON-STRUCTURAL
PROTEIN 5)		 3tvi ASPARTOKINASE
(Clostridium
acetobutylicum) 		5 / 12 GLY A 191
GLY A 185
GLU A 116
VAL A   5
ILE A 194
 None
None
ASP  A 451 (-3.9A)
None
None
 0.88A 3p97C-3tviA:
undetectable		 3p97C-3tviA:
22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QJ7_A_SPMA264_1
(THYMIDYLATE SYNTHASE)		 3ab7 PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0350
(Thermus
thermophilus) 		4 / 8 ALA A  16
LEU A 115
ASP A   8
SER A  10
 ALA  A  16 ( 0.0A)
LEU  A 115 ( 0.6A)
ASP  A   8 ( 0.6A)
SER  A  10 ( 0.0A)
 1.01A 3qj7A-3ab7A:
undetectable
3qj7D-3ab7A:
undetectable		 3qj7A-3ab7A:
27.16
3qj7D-3ab7A:
27.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SFU_A_RBVA601_1
(RNA POLYMERASE)		 4mtp RNA DEPENDENT RNA
POLYMERASE
(Japanese
encephalitis
virus) 		5 / 9 ASP A 541
ASN A 613
GLY A 667
ASP A 668
ASP A 669
 ASP  A 541 ( 0.6A)
ASN  A 613 ( 0.6A)
GLY  A 667 ( 0.0A)
ASP  A 668 ( 0.6A)
ASP  A 669 ( 0.6A)
 1.06A 3sfuA-4mtpA:
19.2		 3sfuA-4mtpA:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SFU_A_RBVA601_1
(RNA POLYMERASE)		 4mtp RNA DEPENDENT RNA
POLYMERASE
(Japanese
encephalitis
virus) 		5 / 9 ASP A 541
SER A 604
ASN A 613
GLY A 667
ASP A 668
 ASP  A 541 ( 0.6A)
SER  A 604 ( 0.0A)
ASN  A 613 ( 0.6A)
GLY  A 667 ( 0.0A)
ASP  A 668 ( 0.6A)
 1.04A 3sfuA-4mtpA:
19.2		 3sfuA-4mtpA:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SFU_B_RBVB601_1
(RNA POLYMERASE)		 4mtp RNA DEPENDENT RNA
POLYMERASE
(Japanese
encephalitis
virus) 		5 / 9 ASP A 541
ASN A 613
GLY A 667
ASP A 668
ASP A 669
 ASP  A 541 ( 0.6A)
ASN  A 613 ( 0.6A)
GLY  A 667 ( 0.0A)
ASP  A 668 ( 0.6A)
ASP  A 669 ( 0.6A)
 1.01A 3sfuB-4mtpA:
21.6		 3sfuB-4mtpA:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SFU_C_RBVC601_1
(RNA POLYMERASE)		 4mtp RNA DEPENDENT RNA
POLYMERASE
(Japanese
encephalitis
virus) 		5 / 11 ASP A 541
SER A 604
ASN A 613
GLY A 667
ASP A 668
 ASP  A 541 ( 0.6A)
SER  A 604 ( 0.0A)
ASN  A 613 ( 0.6A)
GLY  A 667 ( 0.0A)
ASP  A 668 ( 0.6A)
 1.04A 3sfuC-4mtpA:
19.6		 3sfuC-4mtpA:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SFU_C_RBVC601_1
(RNA POLYMERASE)		 4mtp RNA DEPENDENT RNA
POLYMERASE
(Japanese
encephalitis
virus) 		5 / 11 ASP A 541
SER A 604
THR A 609
ASN A 613
GLY A 667
 ASP  A 541 ( 0.6A)
SER  A 604 ( 0.0A)
THR  A 609 ( 0.8A)
ASN  A 613 ( 0.6A)
GLY  A 667 ( 0.0A)
 1.11A 3sfuC-4mtpA:
19.6		 3sfuC-4mtpA:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SUD_D_SUED1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 2j0w LYSINE-SENSITIVE
ASPARTOKINASE 3
(Escherichia
coli) 		5 / 12 HIS A 260
GLY A 200
VAL A 258
SER A 338
ASP A 354
 None
ASP  A 502 (-4.2A)
ADP  A 820 (-3.7A)
None
None
 0.97A 3sudD-2j0wA:
undetectable		 3sudD-2j0wA:
18.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TKG_C_ROCC901_3
(PROTEASE)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		3 / 3 ASP A 413
THR A 393
PRO A 394
 ASP  A 413 (-0.5A)
THR  A 393 ( 0.8A)
PRO  A 394 ( 1.1A)
 0.66A 3tkgD-2nvvA:
undetectable		 3tkgD-2nvvA:
13.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TKG_C_ROCC901_3
(PROTEASE)		 5c6d UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 7
(Homo
sapiens) 		3 / 3 ASP A 722
THR A 707
PRO A 708
 ASP  A 722 ( 0.6A)
THR  A 707 ( 0.8A)
PRO  A 708 ( 1.1A)
 0.67A 3tkgD-5c6dA:
undetectable		 3tkgD-5c6dA:
16.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TM4_A_SAMA401_1
(TRNA (GUANINE
N2-)-METHYLTRANSFERA
SE TRM14)		 3kqg C-TYPE LECTIN DOMAIN
FAMILY 4 MEMBER K
(Homo
sapiens) 		4 / 5 SER A 218
THR A 215
GLU A 220
ASP A 269
 SER  A 218 ( 0.0A)
THR  A 215 ( 0.8A)
GLU  A 220 ( 0.6A)
ASP  A 269 ( 0.5A)
 1.34A 3tm4A-3kqgA:
undetectable		 3tm4A-3kqgA:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TM4_A_SAMA401_1
(TRNA (GUANINE
N2-)-METHYLTRANSFERA
SE TRM14)		 3wd7 TYPE III POLYKETIDE
SYNTHASES ACRIDONE
SYNTHASE
(Citrus
x
microcarpa) 		4 / 5 HIS A 385
SER A 386
THR A 360
ASP A 227
 HIS  A 385 ( 1.0A)
SER  A 386 ( 0.0A)
THR  A 360 ( 0.8A)
ASP  A 227 ( 0.6A)
 1.14A 3tm4A-3wd7A:
undetectable		 3tm4A-3wd7A:
24.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TM4_B_SAMB401_1
(TRNA (GUANINE
N2-)-METHYLTRANSFERA
SE TRM14)		 3kqg C-TYPE LECTIN DOMAIN
FAMILY 4 MEMBER K
(Homo
sapiens) 		4 / 5 SER A 218
THR A 215
GLU A 220
ASP A 269
 SER  A 218 ( 0.0A)
THR  A 215 ( 0.8A)
GLU  A 220 ( 0.6A)
ASP  A 269 ( 0.5A)
 1.35A 3tm4B-3kqgA:
undetectable		 3tm4B-3kqgA:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TM4_B_SAMB401_1
(TRNA (GUANINE
N2-)-METHYLTRANSFERA
SE TRM14)		 3wd7 TYPE III POLYKETIDE
SYNTHASES ACRIDONE
SYNTHASE
(Citrus
x
microcarpa) 		4 / 5 HIS A 385
SER A 386
THR A 360
ASP A 227
 HIS  A 385 ( 1.0A)
SER  A 386 ( 0.0A)
THR  A 360 ( 0.8A)
ASP  A 227 ( 0.6A)
 1.13A 3tm4B-3wd7A:
undetectable		 3tm4B-3wd7A:
24.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UFN_A_ROCA402_1
(HIV-1 PROTEASE)		 5c05 PUTATIVE
GAMMA-TERPINENE
SYNTHASE
(Thymus
vulgaris) 		4 / 5 ARG A 490
LEU A 443
PRO A 437
ASP A 494
 ARG  A 490 ( 0.6A)
LEU  A 443 ( 0.6A)
PRO  A 437 ( 1.1A)
ASP  A 494 ( 0.6A)
 1.07A 3ufnA-5c05A:
undetectable
3ufnB-5c05A:
undetectable		 3ufnA-5c05A:
10.81
3ufnB-5c05A:
10.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UJ7_A_SAMA301_1
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		 1wqa PHOSPHO-SUGAR MUTASE
(Pyrococcus
horikoshii) 		3 / 3 SER A 356
ASP A 270
ASP A 293
 SER  A 356 ( 0.0A)
ASP  A 270 ( 0.6A)
ASP  A 293 ( 0.6A)
 0.84A 3uj7A-1wqaA:
undetectable		 3uj7A-1wqaA:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V4T_C_ACTC502_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 5ep8 PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE
(Bacillus
subtilis) 		3 / 3 PRO A 105
ASP A 103
GLU A  75
 PRO  A 105 ( 1.1A)
ASP  A 103 ( 0.6A)
GLU  A  75 ( 0.6A)
 0.83A 3v4tC-5ep8A:
undetectable		 3v4tC-5ep8A:
26.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V8V_A_SAMA801_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE L)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		5 / 12 ILE A 144
MET A  57
ASP A  19
VAL A  77
LEU A  71
 ILE  A 144 ( 0.7A)
VAL  A  77 ( 3.9A)
ASP  A  19 ( 0.6A)
VAL  A  77 ( 0.6A)
LEU  A  71 ( 0.6A)
 1.21A 3v8vA-2nvvA:
undetectable		 3v8vA-2nvvA:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VWQ_A_ACAA601_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 1c8x ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE H
(Streptomyces
plicatus) 		5 / 12 ALA A 174
TYR A  14
ASP A 128
GLY A 171
ILE A 170
 ALA  A 174 ( 0.0A)
TYR  A  14 (-1.3A)
ASP  A 128 ( 0.5A)
GLY  A 171 ( 0.0A)
ILE  A 170 ( 0.7A)
 1.20A 3vwqA-1c8xA:
undetectable		 3vwqA-1c8xA:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VYW_C_SAMC401_1
(MNMC2)		 3gnr OS03G0212800 PROTEIN
(Oryza
sativa) 		4 / 6 GLY A 295
ASP A 279
ASP A 344
GLU A 271
 GLY  A 295 ( 0.0A)
ASP  A 279 ( 0.6A)
ASP  A 344 ( 0.6A)
GLU  A 271 ( 0.6A)
 0.97A 3vywC-3gnrA:
undetectable		 3vywC-3gnrA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W37_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		5 / 12 ASN A  95
ASP A 413
ILE A 376
ASP A 102
HIS A 411
 ASN  A  95 ( 0.6A)
ASP  A 413 (-0.5A)
ILE  A 376 ( 0.7A)
ASP  A 102 ( 0.6A)
HIS  A 411 (-1.0A)
 1.29A 3w37A-2nvvA:
undetectable		 3w37A-2nvvA:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W9T_B_W9TB501_1
(HEMOLYTIC LECTIN
CEL-III)		 3eqz RESPONSE REGULATOR
(Colwellia
psychrerythraea) 		4 / 5 ASP A  52
SER A  80
GLY A  81
ASP A  11
 ASP  A  52 ( 0.6A)
SER  A  80 ( 0.0A)
GLY  A  81 ( 0.0A)
ASP  A  11 ( 0.5A)
 1.26A 3w9tB-3eqzA:
undetectable		 3w9tB-3eqzA:
14.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W9T_B_W9TB504_1
(HEMOLYTIC LECTIN
CEL-III)		 5d7w SERRALYSIN
(Serratia
marcescens) 		4 / 5 ASP A 168
GLU A 167
GLY A 170
TYR A 230
 ASP  A 168 (-0.6A)
GLU  A 167 ( 0.6A)
GLY  A 170 ( 0.0A)
TYR  A 230 (-1.3A)
 1.21A 3w9tB-5d7wA:
undetectable		 3w9tB-5d7wA:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W9T_C_W9TC1003_1
(HEMOLYTIC LECTIN
CEL-III)		 3eqz RESPONSE REGULATOR
(Colwellia
psychrerythraea) 		4 / 5 ASP A  52
SER A  80
GLY A  81
ASP A  11
 ASP  A  52 ( 0.6A)
SER  A  80 ( 0.0A)
GLY  A  81 ( 0.0A)
ASP  A  11 ( 0.5A)
 1.26A 3w9tC-3eqzA:
undetectable		 3w9tC-3eqzA:
14.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W9T_C_W9TC1005_1
(HEMOLYTIC LECTIN
CEL-III)		 4egs RIBOSE 5-PHOSPHATE
ISOMERASE RPIB
(Caldanaerobacter
subterraneus) 		3 / 3 ASP A 119
GLY A   9
TYR A 121
 ASP  A 119 (-0.6A)
GLY  A   9 (-0.0A)
TYR  A 121 ( 1.3A)
 0.74A 3w9tC-4egsA:
undetectable		 3w9tC-4egsA:
18.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W9T_E_W9TE505_1
(HEMOLYTIC LECTIN
CEL-III)		 5d7w SERRALYSIN
(Serratia
marcescens) 		4 / 5 ASP A 168
GLU A 167
GLY A 170
TYR A 230
 ASP  A 168 (-0.6A)
GLU  A 167 ( 0.6A)
GLY  A 170 ( 0.0A)
TYR  A 230 (-1.3A)
 1.19A 3w9tE-5d7wA:
undetectable		 3w9tE-5d7wA:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W9T_G_W9TG503_1
(HEMOLYTIC LECTIN
CEL-III)		 4egs RIBOSE 5-PHOSPHATE
ISOMERASE RPIB
(Caldanaerobacter
subterraneus) 		3 / 3 ASP A 119
GLY A   9
TYR A 121
 ASP  A 119 (-0.6A)
GLY  A   9 (-0.0A)
TYR  A 121 ( 1.3A)
 0.74A 3w9tG-4egsA:
undetectable		 3w9tG-4egsA:
18.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WDM_B_ADNB301_1
(4-PHOSPHOPANTOATE--B
ETA-ALANINE LIGASE)		 5hfi UNCHARACTERIZED
PROTEIN, CYTOSOLIC
DISULFIDE REDUCTASE
DSBM
(Pseudomonas
aeruginosa) 		5 / 10 ALA A  93
LEU A 133
ASP A  11
LEU A  13
ILE A 116
 ALA  A  93 ( 0.0A)
LEU  A 133 ( 0.6A)
ASP  A  11 ( 0.5A)
LEU  A  13 ( 0.6A)
ILE  A 116 ( 0.7A)
 1.19A 3wdmB-5hfiA:
undetectable		 3wdmB-5hfiA:
23.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WDM_D_ADND301_1
(4-PHOSPHOPANTOATE--B
ETA-ALANINE LIGASE)		 4zke SUPERKILLER PROTEIN
7
(Saccharomyces
cerevisiae) 		5 / 10 GLY A 285
LEU A 588
ASP A 356
LEU A 284
ILE A 339
 GLY  A 285 ( 0.0A)
LEU  A 588 ( 0.6A)
ASP  A 356 ( 0.6A)
LEU  A 284 ( 0.6A)
ILE  A 339 ( 0.4A)
 1.07A 3wdmD-4zkeA:
undetectable		 3wdmD-4zkeA:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WDM_D_ADND301_1
(4-PHOSPHOPANTOATE--B
ETA-ALANINE LIGASE)		 5hfi UNCHARACTERIZED
PROTEIN, CYTOSOLIC
DISULFIDE REDUCTASE
DSBM
(Pseudomonas
aeruginosa) 		5 / 10 ALA A  93
LEU A 133
ASP A  11
LEU A  13
ILE A 116
 ALA  A  93 ( 0.0A)
LEU  A 133 ( 0.6A)
ASP  A  11 ( 0.5A)
LEU  A  13 ( 0.6A)
ILE  A 116 ( 0.7A)
 1.17A 3wdmD-5hfiA:
undetectable		 3wdmD-5hfiA:
23.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WEL_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		5 / 12 ASN A  95
ASP A 413
ILE A 376
ASP A 102
HIS A 411
 ASN  A  95 ( 0.6A)
ASP  A 413 (-0.5A)
ILE  A 376 ( 0.7A)
ASP  A 102 ( 0.6A)
HIS  A 411 (-1.0A)
 1.29A 3welA-2nvvA:
undetectable		 3welA-2nvvA:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WIP_G_ACTG305_0
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 1gc7 RADIXIN
(Mus
musculus) 		3 / 3 ASP A 266
ARG A 246
LYS A 258
 ASP  A 266 ( 0.6A)
ARG  A 246 ( 0.6A)
LYS  A 258 ( 0.0A)
 0.98A 3wipG-1gc7A:
0.0		 3wipG-1gc7A:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WIP_G_ACTG305_0
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 3wvn NON-RIBOSOMAL
PEPTIDE SYNTHETASE
(Streptomyces
halstedii) 		3 / 3 ASP A 230
ARG A 331
LYS A 330
 ASP  A 601 (-2.6A)
ASP  A 601 (-3.5A)
ASP  A 601 (-2.9A)
 1.25A 3wipG-3wvnA:
undetectable		 3wipG-3wvnA:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WQV_A_GCSA501_1
(CHITINASE)		 5gpr CHITINASE
(Ostrinia
furnacalis) 		7 / 11 PHE A 184
GLY A 267
ASP A 306
TYR A 383
ASP A 384
TYR A 437
TRP A 532
 PHE  A 184 ( 1.3A)
GLY  A 267 ( 0.0A)
ASP  A 306 ( 0.5A)
TYR  A 383 ( 1.3A)
ASP  A 384 ( 0.5A)
TYR  A 437 ( 1.3A)
TRP  A 532 ( 0.5A)
 0.80A 3wqvA-5gprA:
43.0		 3wqvA-5gprA:
24.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WQV_A_GCSA501_1
(CHITINASE)		 5gpr CHITINASE
(Ostrinia
furnacalis) 		10 / 11 PHE A 184
GLY A 267
TRP A 268
GLU A 308
MET A 381
TYR A 383
ASP A 384
TYR A 437
ARG A 439
TRP A 532
 PHE  A 184 ( 1.3A)
GLY  A 267 ( 0.0A)
TRP  A 268 ( 0.5A)
GLU  A 308 ( 0.6A)
MET  A 381 ( 0.0A)
TYR  A 383 ( 1.3A)
ASP  A 384 ( 0.5A)
TYR  A 437 ( 1.3A)
ARG  A 439 ( 0.6A)
TRP  A 532 ( 0.5A)
 0.44A 3wqvA-5gprA:
43.0		 3wqvA-5gprA:
24.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WQW_A_GCSA501_1
(CHITINASE)		 5gpr CHITINASE
(Ostrinia
furnacalis) 		7 / 11 PHE A 184
GLY A 267
ASP A 306
TYR A 383
ASP A 384
TYR A 437
TRP A 532
 PHE  A 184 ( 1.3A)
GLY  A 267 ( 0.0A)
ASP  A 306 ( 0.5A)
TYR  A 383 ( 1.3A)
ASP  A 384 ( 0.5A)
TYR  A 437 ( 1.3A)
TRP  A 532 ( 0.5A)
 0.82A 3wqwA-5gprA:
43.0		 3wqwA-5gprA:
24.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WQW_A_GCSA501_1
(CHITINASE)		 5gpr CHITINASE
(Ostrinia
furnacalis) 		10 / 11 PHE A 184
GLY A 267
TRP A 268
GLU A 308
MET A 381
TYR A 383
ASP A 384
TYR A 437
ARG A 439
TRP A 532
 PHE  A 184 ( 1.3A)
GLY  A 267 ( 0.0A)
TRP  A 268 ( 0.5A)
GLU  A 308 ( 0.6A)
MET  A 381 ( 0.0A)
TYR  A 383 ( 1.3A)
ASP  A 384 ( 0.5A)
TYR  A 437 ( 1.3A)
ARG  A 439 ( 0.6A)
TRP  A 532 ( 0.5A)
 0.47A 3wqwA-5gprA:
43.0		 3wqwA-5gprA:
24.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WRH_A_CAMA503_0
(CAMPHOR
5-MONOOXYGENASE)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 7 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 1.01A 3wrhA-5lmxC:
undetectable		 3wrhA-5lmxC:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WRH_E_CAME503_0
(CAMPHOR
5-MONOOXYGENASE)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 6 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 1.00A 3wrhE-5lmxC:
undetectable		 3wrhE-5lmxC:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WRJ_A_CAMA503_0
(CAMPHOR
5-MONOOXYGENASE)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 7 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 1.00A 3wrjA-5lmxC:
undetectable		 3wrjA-5lmxC:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WRJ_E_CAME503_0
(CAMPHOR
5-MONOOXYGENASE)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 6 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 1.01A 3wrjE-5lmxC:
undetectable		 3wrjE-5lmxC:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WRL_A_CAMA503_0
(CAMPHOR
5-MONOOXYGENASE)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 7 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 1.02A 3wrlA-5lmxC:
undetectable		 3wrlA-5lmxC:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WRM_A_CAMA503_0
(CAMPHOR
5-MONOOXYGENASE)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 7 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 1.03A 3wrmA-5lmxC:
undetectable		 3wrmA-5lmxC:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WRM_F_CAMF503_0
(CAMPHOR
5-MONOOXYGENASE)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 7 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 1.00A 3wrmF-5lmxC:
undetectable		 3wrmF-5lmxC:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WSJ_A_MK1A201_2
(PROTEASE)		 1gc7 RADIXIN
(Mus
musculus) 		4 / 7 LEU A 104
ASP A  13
ALA A  14
VAL A  33
 LEU  A 104 ( 0.6A)
ASP  A  13 ( 0.5A)
ALA  A  14 ( 0.0A)
VAL  A  33 ( 0.6A)
 0.94A 3wsjB-1gc7A:
0.0		 3wsjB-1gc7A:
15.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WZD_A_LEVA1201_2
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 3o96 RAC-ALPHA
SERINE/THREONINE-PRO
TEIN KINASE
(Homo
sapiens) 		4 / 5 ILE A   6
VAL A 106
LEU A 110
ASP A  32
 ILE  A   6 ( 0.4A)
VAL  A 106 ( 0.6A)
LEU  A 110 ( 0.6A)
ASP  A  32 ( 0.6A)
 0.88A 3wzdA-3o96A:
19.5		 3wzdA-3o96A:
23.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WZE_A_BAXA1201_2
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 3wd7 TYPE III POLYKETIDE
SYNTHASES ACRIDONE
SYNTHASE
(Citrus
x
microcarpa) 		4 / 8 VAL A 189
LEU A 187
ILE A 128
ASP A 141
 VAL  A 189 ( 0.6A)
LEU  A 187 ( 0.5A)
ILE  A 128 ( 0.7A)
ASP  A 141 ( 0.6A)
 0.70A 3wzeA-3wd7A:
undetectable		 3wzeA-3wd7A:
23.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ZS3_A_ACTA1224_0
(THAUMATIN-LIKE
PROTEIN)		 5c05 PUTATIVE
GAMMA-TERPINENE
SYNTHASE
(Thymus
vulgaris) 		4 / 5 SER A 377
GLU A 374
THR A 378
ASP A 372
 SER  A 377 ( 0.0A)
GLU  A 374 ( 0.6A)
THR  A 378 ( 0.8A)
ASP  A 372 ( 0.6A)
 1.49A 3zs3A-5c05A:
undetectable		 3zs3A-5c05A:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A7T_A_5FWA1002_1
(SUPEROXIDE DISMUTASE
[CU-ZN])		 4oud TYROSYL-TRNA
SYNTHETASE
(Escherichia
coli) 		3 / 3 ASN B 126
TRP B 129
ASP B  41
 ASN  B 126 ( 0.6A)
TRP  B 129 ( 0.5A)
ASP  B  41 ( 0.6A)
 0.80A 4a7tA-4oudB:
undetectable
4a7tF-4oudB:
undetectable		 4a7tA-4oudB:
18.31
4a7tF-4oudB:
18.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4AGA_A_ACTA1131_0
(LYSOZYME C)		 3cb7 LYS-RICH LYSOZYME 2
(Musca
domestica) 		3 / 3 ASN A  48
ASP A  54
ASN A  61
 ASN  A  48 ( 0.6A)
ASP  A  54 (-0.5A)
ASN  A  61 (-0.6A)
 0.39A 4agaA-3cb7A:
19.0		 4agaA-3cb7A:
37.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AQL_A_TXCA1452_2
(GUANINE DEAMINASE)		 5l5n PLEXIN-A4
(Mus
musculus) 		4 / 5 HIS A 490
LEU A 333
LEU A 314
ASP A 331
 HIS  A 490 ( 1.0A)
LEU  A 333 ( 0.5A)
LEU  A 314 ( 0.5A)
ASP  A 331 ( 0.5A)
 1.26A 4aqlA-5l5nA:
undetectable		 4aqlA-5l5nA:
18.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AX8_A_SAMA1474_1
(WBDD)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		4 / 6 TYR A 223
ASP A 203
GLU A 243
LEU A 234
 TYR  A 223 ( 1.3A)
ASP  A 203 ( 0.6A)
GLU  A 243 ( 0.5A)
LEU  A 234 ( 0.6A)
 1.16A 4ax8A-3sl5A:
undetectable		 4ax8A-3sl5A:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AZV_A_SAMA1474_1
(WBDD)		 5gpr CHITINASE
(Ostrinia
furnacalis) 		4 / 6 GLN A 466
ARG A 165
ASP A 384
GLN A 397
 GLN  A 466 ( 0.6A)
ARG  A 165 ( 0.6A)
ASP  A 384 ( 0.5A)
GLN  A 397 ( 0.6A)
 1.31A 4azvA-5gprA:
undetectable		 4azvA-5gprA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BLV_A_SAMA1281_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J)		 2vbf BRANCHED-CHAIN
ALPHA-KETOACID
DECARBOXYLASE
(Lactococcus
lactis) 		5 / 12 LEU A 526
GLY A 428
GLY A 405
LEU A 524
ASP A 429
 LEU  A 526 ( 0.5A)
GLY  A 428 (-0.0A)
GLY  A 405 ( 0.0A)
LEU  A 524 ( 0.6A)
ASP  A 429 ( 0.6A)
 1.04A 4blvA-2vbfA:
4.1		 4blvA-2vbfA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BWL_C_MN9C1297_0
(N-ACETYLNEURAMINATE
LYASE)		 4mwt LYSOSOMAL PROTECTIVE
PROTEIN
(Homo
sapiens) 		5 / 10 LEU A 174
GLY A 177
ASP A 380
GLY A 179
SER A 181
 LEU  A 174 ( 0.5A)
GLY  A 177 ( 0.0A)
ASP  A 380 ( 0.5A)
GLY  A 179 ( 0.0A)
SER  A 181 ( 0.0A)
 1.13A 4bwlC-4mwtA:
undetectable		 4bwlC-4mwtA:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C2P_A_X8ZA709_1
(ANGIOTENSIN-CONVERTI
NG ENZYME)		 1y79 PEPTIDYL-DIPEPTIDASE
DCP
(Escherichia
coli) 		7 / 11 HIS 1 469
GLU 1 470
HIS 1 473
GLU 1 498
HIS 1 601
TYR 1 611
TYR 1 614
 ZN  1 700 (-3.2A)
TRP  1 702 ( 2.6A)
ZN  1 700 ( 3.3A)
ZN  1 700 ( 2.2A)
TRP  1 702 ( 3.8A)
ASP  1 704 (-4.7A)
ASP  1 704 (-3.5A)
 0.49A 4c2pA-1y791:
4.4		 4c2pA-1y791:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C5N_C_PXLC300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 5ep8 PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE
(Bacillus
subtilis) 		4 / 8 GLY A 262
ASP A 258
GLY A 264
VAL A 272
 GLY  A 262 ( 0.0A)
ASP  A 258 ( 0.6A)
GLY  A 264 ( 0.0A)
VAL  A 272 ( 0.6A)
 0.69A 4c5nC-5ep8A:
undetectable		 4c5nC-5ep8A:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C5N_C_PXLC300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 5w0a GLUCANASE
(Trichoderma
harzianum) 		4 / 8 GLY A 113
ASP A 117
GLY A 116
VAL A  33
 GLY  A 113 ( 0.0A)
ASP  A 117 ( 0.5A)
GLY  A 116 ( 0.0A)
VAL  A  33 ( 0.6A)
 0.78A 4c5nC-5w0aA:
undetectable		 4c5nC-5w0aA:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CTJ_A_SAMA1263_0
(NON-STRUCTURAL
PROTEIN 5)		 3tvi ASPARTOKINASE
(Clostridium
acetobutylicum) 		5 / 12 GLY A 191
GLY A 185
GLU A 116
VAL A   5
ILE A 194
 None
None
ASP  A 451 (-3.9A)
None
None
 0.85A 4ctjA-3tviA:
undetectable		 4ctjA-3tviA:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CTJ_C_SAMC1263_0
(NON-STRUCTURAL
PROTEIN 5)		 3tvi ASPARTOKINASE
(Clostridium
acetobutylicum) 		5 / 12 GLY A 191
GLY A 185
GLU A 116
VAL A   5
ILE A 194
 None
None
ASP  A 451 (-3.9A)
None
None
 0.94A 4ctjC-3tviA:
undetectable		 4ctjC-3tviA:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CTK_C_SAMC1263_0
(POLYPROTEIN)		 3tvi ASPARTOKINASE
(Clostridium
acetobutylicum) 		5 / 12 GLY A 191
GLY A 185
GLU A 116
VAL A   5
ILE A 194
 None
None
ASP  A 451 (-3.9A)
None
None
 0.88A 4ctkC-3tviA:
undetectable		 4ctkC-3tviA:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EAH_F_ACTF402_0
(ACTIN, ALPHA
SKELETAL MUSCLE)		 3ab7 PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0350
(Thermus
thermophilus) 		3 / 3 PHE A 126
ASP A 124
ARG A 258
 PHE  A 126 ( 1.3A)
ASP  A 124 ( 0.6A)
ARG  A 258 ( 0.6A)
 0.80A 4eahF-3ab7A:
undetectable		 4eahF-3ab7A:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EAH_G_ACTG401_0
(ACTIN, ALPHA
SKELETAL MUSCLE)		 3ab7 PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0350
(Thermus
thermophilus) 		3 / 3 PHE A 126
ASP A 124
ARG A 258
 PHE  A 126 ( 1.3A)
ASP  A 124 ( 0.6A)
ARG  A 258 ( 0.6A)
 0.80A 4eahG-3ab7A:
undetectable		 4eahG-3ab7A:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EB4_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 2loe 6-CYSTEINE PROTEIN,
PUTATIVE
(Plasmodium
falciparum) 		5 / 10 PHE A  64
ILE A  48
ASP A 105
PHE A 109
LYS A  82
 PHE  A  64 ( 1.4A)
ILE  A  48 ( 0.7A)
ASP  A 105 ( 0.5A)
PHE  A 109 ( 1.4A)
LYS  A  82 ( 0.0A)
 1.47A 4eb4D-2loeA:
undetectable		 4eb4D-2loeA:
16.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EK1_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 6 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 1.03A 4ek1A-5lmxC:
undetectable		 4ek1A-5lmxC:
22.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4F5Z_A_BEZA302_0
(HALOALKANE
DEHALOGENASE)		 5ec3 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE
(Homo
sapiens) 		4 / 8 ASP A 182
VAL A 228
LEU A 332
HIS A 183
 ASP  A 182 ( 0.6A)
VAL  A 228 ( 0.6A)
LEU  A 332 ( 0.6A)
HIS  A 183 (-1.0A)
 1.18A 4f5zA-5ec3A:
undetectable		 4f5zA-5ec3A:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEU_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5wpi HSVA
(Erwinia
amylovora) 		4 / 7 ASP A 251
ASP A 203
GLU A 244
ASP A 123
 ASP  A 251 ( 0.6A)
ASP  A 203 ( 0.5A)
GLU  A 244 ( 0.6A)
ASP  A 123 ( 0.6A)
 1.19A 4feuB-5wpiA:
undetectable		 4feuB-5wpiA:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FP9_A_SAMA401_1
(METHYLTRANSFERASE
NSUN4)		 2vbf BRANCHED-CHAIN
ALPHA-KETOACID
DECARBOXYLASE
(Lactococcus
lactis) 		3 / 3 ASP A 319
ARG A 321
ASP A 306
 ASP  A 319 ( 0.6A)
ARG  A 321 ( 0.6A)
ASP  A 306 ( 0.6A)
 0.82A 4fp9A-2vbfA:
undetectable		 4fp9A-2vbfA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FP9_C_SAMC401_1
(METHYLTRANSFERASE
NSUN4)		 2vbf BRANCHED-CHAIN
ALPHA-KETOACID
DECARBOXYLASE
(Lactococcus
lactis) 		3 / 3 ASP A 319
ARG A 321
ASP A 306
 ASP  A 319 ( 0.6A)
ARG  A 321 ( 0.6A)
ASP  A 306 ( 0.6A)
 0.71A 4fp9C-2vbfA:
undetectable		 4fp9C-2vbfA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FP9_C_SAMC401_1
(METHYLTRANSFERASE
NSUN4)		 3sag EXOSOME COMPONENT 10
(Homo
sapiens) 		3 / 3 ASP A 439
ARG A 438
ASP A 414
 ASP  A 439 ( 0.6A)
ARG  A 438 ( 0.6A)
ASP  A 414 ( 0.6A)
 0.86A 4fp9C-3sagA:
undetectable		 4fp9C-3sagA:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FP9_F_SAMF401_1
(METHYLTRANSFERASE
NSUN4)		 1rrv GLYCOSYLTRANSFERASE
GTFD
(Amycolatopsis
orientalis) 		3 / 3 ASP A 210
ARG A 193
ASP A 208
 ASP  A 210 ( 0.6A)
ARG  A 193 ( 0.6A)
ASP  A 208 ( 0.5A)
 0.90A 4fp9F-1rrvA:
3.6		 4fp9F-1rrvA:
23.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FP9_F_SAMF401_1
(METHYLTRANSFERASE
NSUN4)		 2vbf BRANCHED-CHAIN
ALPHA-KETOACID
DECARBOXYLASE
(Lactococcus
lactis) 		3 / 3 ASP A 319
ARG A 321
ASP A 306
 ASP  A 319 ( 0.6A)
ARG  A 321 ( 0.6A)
ASP  A 306 ( 0.6A)
 0.73A 4fp9F-2vbfA:
undetectable		 4fp9F-2vbfA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FP9_F_SAMF401_1
(METHYLTRANSFERASE
NSUN4)		 3sag EXOSOME COMPONENT 10
(Homo
sapiens) 		3 / 3 ASP A 439
ARG A 438
ASP A 414
 ASP  A 439 ( 0.6A)
ARG  A 438 ( 0.6A)
ASP  A 414 ( 0.6A)
 0.84A 4fp9F-3sagA:
undetectable		 4fp9F-3sagA:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G24_A_ACAA1004_1
(PENTATRICOPEPTIDE
REPEAT-CONTAINING
PROTEIN AT2G32230,
MITOCHONDRIAL)		 1wqa PHOSPHO-SUGAR MUTASE
(Pyrococcus
horikoshii) 		4 / 6 LEU A 234
VAL A 231
ASP A 237
GLU A 254
 LEU  A 234 ( 0.6A)
VAL  A 231 ( 0.6A)
ASP  A 237 ( 0.5A)
GLU  A 254 ( 0.6A)
 0.83A 4g24A-1wqaA:
undetectable		 4g24A-1wqaA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G3R_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 6 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 1.02A 4g3rA-5lmxC:
undetectable		 4g3rA-5lmxC:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G3R_B_CAMB502_0
(CAMPHOR
5-MONOOXYGENASE)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 6 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 1.02A 4g3rB-5lmxC:
undetectable		 4g3rB-5lmxC:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H9M_A_HAEA929_1
(UREASE)		 4kqn D-HYDANTOINASE
(Bacillus
sp.
AR9) 		4 / 5 HIS A  58
HIS A 183
HIS A 239
ASP A 315
 HIS  A  58 (-1.0A)
HIS  A 183 (-1.0A)
HIS  A 239 (-1.0A)
ASP  A 315 (-0.6A)
 0.43A 4h9mA-4kqnA:
25.1		 4h9mA-4kqnA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HFP_D_15UD402_1
(PROTHROMBIN)		 3h7a SHORT CHAIN
DEHYDROGENASE
(Rhodopseudomonas
palustris) 		5 / 12 ASP A  62
ALA A  63
GLU A 110
ALA A 112
VAL A  89
 ASP  A  62 ( 0.6A)
ALA  A  63 ( 0.0A)
GLU  A 110 ( 0.6A)
ALA  A 112 ( 0.0A)
VAL  A  89 ( 0.6A)
 1.01A 4hfpD-3h7aA:
undetectable		 4hfpD-3h7aA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4I22_A_IREA9001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 5d7a TRAF2 AND
NCK-INTERACTING
PROTEIN KINASE
(Homo
sapiens) 		9 / 12 GLY A  32
VAL A  39
ALA A  52
LEU A 103
MET A 105
GLY A 111
ASP A 115
LEU A 160
ASP A 171
 GLY  A  32 ( 0.0A)
VAL  A  39 (-0.6A)
ALA  A  52 (-0.0A)
LEU  A 103 ( 0.6A)
MET  A 105 (-0.0A)
GLY  A 111 (-0.0A)
ASP  A 115 (-0.6A)
LEU  A 160 (-0.6A)
ASP  A 171 ( 0.5A)
 0.94A 4i22A-5d7aA:
14.3		 4i22A-5d7aA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4I22_A_IREA9001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 5d7a TRAF2 AND
NCK-INTERACTING
PROTEIN KINASE
(Homo
sapiens) 		9 / 12 GLY A  32
VAL A  39
ALA A  52
LYS A  54
LEU A 103
MET A 105
GLY A 111
LEU A 160
ASP A 171
 GLY  A  32 ( 0.0A)
VAL  A  39 (-0.6A)
ALA  A  52 (-0.0A)
LYS  A  54 ( 0.0A)
LEU  A 103 ( 0.6A)
MET  A 105 (-0.0A)
GLY  A 111 (-0.0A)
LEU  A 160 (-0.6A)
ASP  A 171 ( 0.5A)
 0.83A 4i22A-5d7aA:
14.3		 4i22A-5d7aA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4I41_A_MIXA501_1
(SERINE/THREONINE-PRO
TEIN KINASE PIM-1)		 4hne PHOSPHATIDYLINOSITOL
4-KINASE TYPE
2-ALPHA
(Homo
sapiens) 		5 / 12 ILE A 304
ASP A 301
VAL A 342
ASP A 200
ILE A 207
 ILE  A 304 ( 0.6A)
ASP  A 301 ( 0.6A)
VAL  A 342 ( 0.5A)
ASP  A 200 ( 0.6A)
ILE  A 207 ( 0.6A)
 1.36A 4i41A-4hneA:
6.5		 4i41A-4hneA:
19.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4II8_A_010A210_0
(LYSOZYME C)		 2pk2 CYCLIN-T1, PROTEIN
TAT
(Homo
sapiens;
Equine
infectious
anemia
virus) 		4 / 7 ASP A  47
GLN A  50
ASN A  43
ILE A  63
 ASP  A  47 ( 0.6A)
GLN  A  50 ( 0.6A)
ASN  A  43 ( 0.6A)
ILE  A  63 ( 0.7A)
 1.23A 4ii8A-2pk2A:
undetectable		 4ii8A-2pk2A:
15.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4II8_A_010A210_0
(LYSOZYME C)		 3cb7 LYS-RICH LYSOZYME 2
(Musca
domestica) 		6 / 7 GLU A  36
ASP A  54
GLN A  59
ASN A  61
TRP A  65
TRP A 109
 GLU  A  36 (-0.6A)
ASP  A  54 (-0.5A)
GLN  A  59 (-0.6A)
ASN  A  61 (-0.6A)
TRP  A  65 (-0.5A)
TRP  A 109 ( 0.5A)
 0.32A 4ii8A-3cb7A:
19.0		 4ii8A-3cb7A:
37.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IPM_A_ACTA503_0
(GH7 FAMILY PROTEIN)		 5w0a GLUCANASE
(Trichoderma
harzianum) 		9 / 9 ASN A 142
ALA A 144
TYR A 146
TYR A 170
ASP A 172
GLU A 196
ASP A 198
GLU A 201
TRP A 320
 ASN  A 142 ( 0.6A)
ALA  A 144 ( 0.0A)
TYR  A 146 ( 1.3A)
TYR  A 170 ( 1.3A)
ASP  A 172 ( 0.5A)
GLU  A 196 ( 0.6A)
ASP  A 198 (-0.6A)
GLU  A 201 (-0.5A)
TRP  A 320 ( 0.5A)
 0.55A 4ipmA-5w0aA:
48.2		 4ipmA-5w0aA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IQQ_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 5me6 EUKARYOTIC
TRANSCRIPTION
INITIATION FACTOR 4E
(Cucumis
melo) 		4 / 7 ILE A 186
ASP A 168
GLY A 167
PHE A 164
 ILE  A 186 ( 0.7A)
ASP  A 168 ( 0.6A)
GLY  A 167 ( 0.0A)
PHE  A 164 ( 1.3A)
 0.88A 4iqqB-5me6A:
undetectable		 4iqqB-5me6A:
19.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K0B_B_SAMB504_0
(S-ADENOSYLMETHIONINE
SYNTHASE)		 5cdn DNA GYRASE SUBUNIT A
(Staphylococcus
aureus) 		4 / 8 ASN A  54
ASP A  40
LEU A 160
ILE A 144
 ASN  A  54 ( 0.6A)
ASP  A  40 ( 0.5A)
LEU  A 160 ( 0.6A)
ILE  A 144 ( 0.4A)
 0.97A 4k0bA-5cdnA:
undetectable		 4k0bA-5cdnA:
23.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K0B_B_SAMB504_0
(S-ADENOSYLMETHIONINE
SYNTHASE)		 5d7w SERRALYSIN
(Serratia
marcescens) 		4 / 8 ASN A 226
ARG A 209
ASP A 238
LEU A 235
 ASN  A 226 ( 0.6A)
ARG  A 209 ( 0.6A)
ASP  A 238 ( 0.5A)
LEU  A 235 ( 0.6A)
 0.99A 4k0bA-5d7wA:
undetectable		 4k0bA-5d7wA:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K7G_B_ACTB902_0
(3-HYDROXYPROLINE
DEHYDRATSE)		 5wpi HSVA
(Erwinia
amylovora) 		4 / 7 ASP A  36
PRO A  96
HIS A 101
SER A  99
 ASP  A  36 ( 0.6A)
PRO  A  96 ( 1.1A)
HIS  A 101 ( 1.0A)
SER  A  99 ( 0.0A)
 1.16A 4k7gB-5wpiA:
undetectable		 4k7gB-5wpiA:
23.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KKY_X_CAMX503_0
(CAMPHOR
5-MONOOXYGENASE)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 6 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 0.96A 4kkyX-5lmxC:
undetectable		 4kkyX-5lmxC:
22.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KOE_H_TR6H101_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B
E-SITE DNA4)		 2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50
(Geobacillus
stearothermophil
us) 		4 / 7 GLY A  84
ASP A  83
GLY A  58
GLU A  78
 GLY  A  84 ( 0.0A)
ASP  A  83 ( 0.6A)
GLY  A  58 ( 0.0A)
GLU  A  78 ( 0.6A)
 0.96A 4koeA-2ogsA:
undetectable
4koeB-2ogsA:
undetectable
4koeD-2ogsA:
2.5		 4koeA-2ogsA:
23.33
4koeB-2ogsA:
23.33
4koeD-2ogsA:
20.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KS8_A_B49A701_1
(SERINE/THREONINE-PRO
TEIN KINASE PAK 6)		 5d7a TRAF2 AND
NCK-INTERACTING
PROTEIN KINASE
(Homo
sapiens) 		6 / 10 ALA A  52
MET A 105
PHE A 107
GLY A 111
LEU A 160
ASP A 171
 ALA  A  52 (-0.0A)
MET  A 105 (-0.0A)
PHE  A 107 ( 1.3A)
GLY  A 111 (-0.0A)
LEU  A 160 (-0.6A)
ASP  A 171 ( 0.5A)
 1.03A 4ks8A-5d7aA:
29.9		 4ks8A-5d7aA:
37.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KTT_A_SAMA405_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 4ikn AP-3 COMPLEX SUBUNIT
MU-1
(Rattus
norvegicus) 		4 / 8 GLU A 185
ASP A 188
ILE A 187
ILE A 272
 GLU  A 185 ( 0.6A)
ASP  A 188 ( 0.6A)
ILE  A 187 ( 0.6A)
ILE  A 272 ( 0.7A)
 0.90A 4kttB-4iknA:
undetectable		 4kttB-4iknA:
23.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KTT_C_SAMC404_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 4ikn AP-3 COMPLEX SUBUNIT
MU-1
(Rattus
norvegicus) 		4 / 8 GLU A 185
ASP A 188
ILE A 187
ILE A 272
 GLU  A 185 ( 0.6A)
ASP  A 188 ( 0.6A)
ILE  A 187 ( 0.6A)
ILE  A 272 ( 0.7A)
 0.83A 4kttD-4iknA:
undetectable		 4kttD-4iknA:
23.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L4C_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 6 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 1.04A 4l4cA-5lmxC:
undetectable		 4l4cA-5lmxC:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L4G_A_CAMA503_0
(CAMPHOR
5-MONOOXYGENASE)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 7 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 0.97A 4l4gA-5lmxC:
undetectable		 4l4gA-5lmxC:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L7I_B_SAMB501_0
(S-ADENOSYLMETHIONINE
SYNTHASE)		 5cdn DNA GYRASE SUBUNIT A
(Staphylococcus
aureus) 		4 / 8 ASN A  54
ASP A  40
LEU A 160
ILE A 144
 ASN  A  54 ( 0.6A)
ASP  A  40 ( 0.5A)
LEU  A 160 ( 0.6A)
ILE  A 144 ( 0.4A)
 0.99A 4l7iA-5cdnA:
undetectable		 4l7iA-5cdnA:
23.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L7I_B_SAMB501_0
(S-ADENOSYLMETHIONINE
SYNTHASE)		 5d7w SERRALYSIN
(Serratia
marcescens) 		4 / 8 ASN A 226
ARG A 209
ASP A 238
LEU A 235
 ASN  A 226 ( 0.6A)
ARG  A 209 ( 0.6A)
ASP  A 238 ( 0.5A)
LEU  A 235 ( 0.6A)
 1.07A 4l7iA-5d7wA:
undetectable		 4l7iA-5d7wA:
21.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LMN_A_EUIA503_1
(DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1)		 5d7a TRAF2 AND
NCK-INTERACTING
PROTEIN KINASE
(Homo
sapiens) 		5 / 12 LEU A  73
ASN A 158
ASP A 171
PHE A 172
GLY A 173
 LEU  A  73 ( 0.6A)
ASN  A 158 ( 0.6A)
ASP  A 171 ( 0.5A)
PHE  A 172 ( 1.3A)
GLY  A 173 ( 0.0A)
 0.72A 4lmnA-5d7aA:
29.6		 4lmnA-5d7aA:
30.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LMN_A_EUIA503_1
(DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1)		 5d7a TRAF2 AND
NCK-INTERACTING
PROTEIN KINASE
(Homo
sapiens) 		5 / 12 MET A 105
ASN A 158
ASP A 171
PHE A 172
GLY A 173
 MET  A 105 (-0.0A)
ASN  A 158 ( 0.6A)
ASP  A 171 ( 0.5A)
PHE  A 172 ( 1.3A)
GLY  A 173 ( 0.0A)
 1.00A 4lmnA-5d7aA:
29.6		 4lmnA-5d7aA:
30.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LMN_A_EUIA503_2
(DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1)		 4mwt LYSOSOMAL PROTECTIVE
PROTEIN
(Homo
sapiens) 		3 / 3 ASP A 380
VAL A 413
ASN A 376
 ASP  A 380 ( 0.5A)
VAL  A 413 ( 0.6A)
ASN  A 376 ( 0.6A)
 0.76A 4lmnA-4mwtA:
undetectable		 4lmnA-4mwtA:
25.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LRH_B_FOLB301_1
(FOLATE RECEPTOR
ALPHA)		 3gnr OS03G0212800 PROTEIN
(Oryza
sativa) 		3 / 3 ASP A 134
TRP A 444
SER A  90
 ASP  A 134 ( 0.6A)
TRP  A 444 (-0.5A)
SER  A  90 ( 0.0A)
 0.94A 4lrhB-3gnrA:
undetectable		 4lrhB-3gnrA:
14.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LRH_B_FOLB301_1
(FOLATE RECEPTOR
ALPHA)		 5gpr CHITINASE
(Ostrinia
furnacalis) 		3 / 3 ASP A 361
TRP A 268
SER A 357
 ASP  A 361 ( 0.5A)
TRP  A 268 ( 0.5A)
SER  A 357 ( 0.0A)
 0.78A 4lrhB-5gprA:
undetectable		 4lrhB-5gprA:
16.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LRH_F_FOLF301_1
(FOLATE RECEPTOR
ALPHA)		 3gnr OS03G0212800 PROTEIN
(Oryza
sativa) 		3 / 3 ASP A 134
TRP A 444
SER A  90
 ASP  A 134 ( 0.6A)
TRP  A 444 (-0.5A)
SER  A  90 ( 0.0A)
 1.03A 4lrhF-3gnrA:
undetectable		 4lrhF-3gnrA:
14.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LRH_F_FOLF301_1
(FOLATE RECEPTOR
ALPHA)		 5gpr CHITINASE
(Ostrinia
furnacalis) 		3 / 3 ASP A 361
TRP A 268
SER A 357
 ASP  A 361 ( 0.5A)
TRP  A 268 ( 0.5A)
SER  A 357 ( 0.0A)
 0.77A 4lrhF-5gprA:
undetectable		 4lrhF-5gprA:
16.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LUH_A_ACTA608_0
(SERUM ALBUMIN)		 1wly 2-HALOACRYLATE
REDUCTASE
(Burkholderia
sp.
WS) 		4 / 4 PRO A 113
ASP A 115
LEU A 116
ARG A  87
 PRO  A 113 ( 1.1A)
ASP  A 115 ( 0.5A)
LEU  A 116 ( 0.6A)
ARG  A  87 ( 0.6A)
 1.42A 4luhA-1wlyA:
0.0		 4luhA-1wlyA:
19.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M2X_G_TMQG202_1
(DIHYDROFOLATE
REDUCTASE)		 5nks DIHYDROPYRIMIDINASE-
RELATED PROTEIN 4
(Homo
sapiens) 		6 / 12 ASP A  87
GLN A  91
PRO A 463
VAL A 461
ILE A 104
THR A 335
 ASP  A  87 ( 0.5A)
GLN  A  91 ( 0.6A)
PRO  A 463 ( 1.1A)
VAL  A 461 ( 0.6A)
ILE  A 104 ( 0.6A)
THR  A 335 ( 0.8A)
 1.21A 4m2xG-5nksA:
undetectable		 4m2xG-5nksA:
13.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM4_B_8PRB603_2
(TRANSPORTER)		 2b92 INTERFERON-INDUCED
GUANYLATE-BINDING
PROTEIN 1
(Homo
sapiens) 		3 / 3 SER A  52
MET A  55
ASP A 184
 SER  A  52 ( 0.0A)
MET  A  55 ( 0.0A)
ASP  A 184 (-0.6A)
 0.96A 4mm4B-2b92A:
0.0		 4mm4B-2b92A:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM4_B_8PRB603_2
(TRANSPORTER)		 2p5d UPF0310 PROTEIN
MJECL36
(Methanocaldococc
us
jannaschii) 		3 / 3 SER A 125
MET A 129
ASP A 140
 SER  A 125 ( 0.0A)
MET  A 129 ( 0.0A)
ASP  A 140 ( 0.6A)
 0.71A 4mm4B-2p5dA:
undetectable		 4mm4B-2p5dA:
14.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM9_A_FVXA603_1
(TRANSPORTER)		 1wqa PHOSPHO-SUGAR MUTASE
(Pyrococcus
horikoshii) 		5 / 11 VAL A  72
GLY A  27
SER A  67
GLY A  69
ASP A  74
 VAL  A  72 ( 0.6A)
GLY  A  27 ( 0.0A)
SER  A  67 ( 0.0A)
GLY  A  69 ( 0.0A)
ASP  A  74 ( 0.6A)
 1.04A 4mm9A-1wqaA:
undetectable		 4mm9A-1wqaA:
22.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMC_A_29JA604_1
(TRANSPORTER)		 5c05 PUTATIVE
GAMMA-TERPINENE
SYNTHASE
(Thymus
vulgaris) 		4 / 7 ILE A  92
PHE A 124
LEU A 276
ASP A 280
 ILE  A  92 ( 0.6A)
PHE  A 124 ( 1.3A)
LEU  A 276 ( 0.6A)
ASP  A 280 ( 0.5A)
 0.82A 4mmcA-5c05A:
undetectable		 4mmcA-5c05A:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MUB_A_OAQA302_0
(SULFOTRANSFERASE)		 5xlu GAMMA GLUTAMYL
TRANSPEPTIDASE
(Bacillus
licheniformis) 		5 / 12 PRO A 338
VAL A 343
GLY A 373
ASP A 330
PHE A 293
 PRO  A 338 ( 1.1A)
VAL  A 343 ( 0.5A)
GLY  A 373 ( 0.0A)
ASP  A 330 ( 0.5A)
PHE  A 293 ( 1.3A)
 1.45A 4mubA-5xluA:
undetectable		 4mubA-5xluA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NDN_A_SAMA407_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 4ikn AP-3 COMPLEX SUBUNIT
MU-1
(Rattus
norvegicus) 		4 / 8 GLU A 185
ASP A 188
ILE A 187
ILE A 272
 GLU  A 185 ( 0.6A)
ASP  A 188 ( 0.6A)
ILE  A 187 ( 0.6A)
ILE  A 272 ( 0.7A)
 0.91A 4ndnB-4iknA:
undetectable		 4ndnB-4iknA:
23.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NDN_C_SAMC405_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 4ikn AP-3 COMPLEX SUBUNIT
MU-1
(Rattus
norvegicus) 		4 / 8 GLU A 185
ASP A 188
ILE A 187
ILE A 272
 GLU  A 185 ( 0.6A)
ASP  A 188 ( 0.6A)
ILE  A 187 ( 0.6A)
ILE  A 272 ( 0.7A)
 0.85A 4ndnD-4iknA:
undetectable		 4ndnD-4iknA:
23.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NJT_D_017D101_1
(PROTEASE)		 1omo ALANINE
DEHYDROGENASE
(Archaeoglobus
fulgidus) 		5 / 11 LEU A 191
ASP A 289
ILE A 236
THR A 211
ILE A 213
 LEU  A 191 ( 0.6A)
ASP  A 289 ( 0.6A)
ILE  A 236 ( 0.7A)
THR  A 211 ( 0.8A)
ILE  A 213 ( 0.7A)
 0.93A 4njtC-1omoA:
undetectable		 4njtC-1omoA:
14.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NKX_C_STRC601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 3ig0 DNA GYRASE SUBUNIT B
(Mycobacterium
tuberculosis) 		4 / 5 ILE A 513
ARG A 553
ASP A 645
VAL A 496
 ILE  A 513 ( 0.3A)
ARG  A 553 ( 0.6A)
ASP  A 645 ( 0.6A)
VAL  A 496 ( 0.6A)
 1.17A 4nkxC-3ig0A:
undetectable		 4nkxC-3ig0A:
18.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NKX_D_STRD601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 3ig0 DNA GYRASE SUBUNIT B
(Mycobacterium
tuberculosis) 		4 / 5 ILE A 513
ARG A 553
ASP A 645
VAL A 496
 ILE  A 513 ( 0.3A)
ARG  A 553 ( 0.6A)
ASP  A 645 ( 0.6A)
VAL  A 496 ( 0.6A)
 1.16A 4nkxD-3ig0A:
undetectable		 4nkxD-3ig0A:
18.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NKX_D_STRD601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 3ig0 DNA GYRASE SUBUNIT B
(Mycobacterium
tuberculosis) 		4 / 5 ILE A 513
ARG A 553
ASP A 645
VAL A 502
 ILE  A 513 ( 0.3A)
ARG  A 553 ( 0.6A)
ASP  A 645 ( 0.6A)
VAL  A 502 ( 0.6A)
 1.24A 4nkxD-3ig0A:
undetectable		 4nkxD-3ig0A:
18.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O1E_A_C2FA3000_1
(DIHYDROPTEROATE
SYNTHASE DHPS)		 2qv2 INOSITOL
POLYPHOSPHATE
5-PHOSPHATASE OCRL-1
(Homo
sapiens) 		3 / 3 LYS A 188
ASN A 294
ASP A 184
 LYS  A 188 ( 0.0A)
ASN  A 294 ( 0.6A)
ASP  A 184 ( 0.5A)
 0.79A 4o1eA-2qv2A:
undetectable		 4o1eA-2qv2A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OBW_D_SAMD601_1
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		 5lmx DNA-DIRECTED RNA
POLYMERASE I SUBUNIT
RPA34
(Saccharomyces
cerevisiae) 		3 / 3 ASN N 106
ASP N  94
ASP N 134
 ASN  N 106 ( 0.6A)
ASP  N  94 ( 0.5A)
ASP  N 134 ( 0.5A)
 0.84A 4obwD-5lmxN:
undetectable		 4obwD-5lmxN:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OBW_D_SAMD601_1
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		3 / 3 ASN C  53
ASP C  55
ASP C 269
 ASN  C  53 ( 0.6A)
ASP  C  55 ( 0.5A)
ASP  C 269 ( 0.5A)
 0.88A 4obwD-5lmxC:
undetectable		 4obwD-5lmxC:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OGR_A_ADNA401_1
(CYCLIN-DEPENDENT
KINASE 9)		 5d7a TRAF2 AND
NCK-INTERACTING
PROTEIN KINASE
(Homo
sapiens) 		6 / 8 GLY A  34
VAL A  39
ALA A  52
ASN A 158
LEU A 160
ASP A 171
 GLY  A  34 ( 0.0A)
VAL  A  39 (-0.6A)
ALA  A  52 (-0.0A)
ASN  A 158 ( 0.6A)
LEU  A 160 (-0.6A)
ASP  A 171 ( 0.5A)
 0.58A 4ogrA-5d7aA:
26.3		 4ogrA-5d7aA:
25.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OGR_I_ADNI401_1
(CYCLIN-DEPENDENT
KINASE 9)		 5d7a TRAF2 AND
NCK-INTERACTING
PROTEIN KINASE
(Homo
sapiens) 		6 / 9 GLY A  34
VAL A  39
ALA A  52
ASN A 158
LEU A 160
ASP A 171
 GLY  A  34 ( 0.0A)
VAL  A  39 (-0.6A)
ALA  A  52 (-0.0A)
ASN  A 158 ( 0.6A)
LEU  A 160 (-0.6A)
ASP  A 171 ( 0.5A)
 0.53A 4ogrI-5d7aA:
26.7		 4ogrI-5d7aA:
25.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OLT_A_GCSA306_1
(CHITOSANASE)		 1zq1 GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT D
(Pyrococcus
abyssi) 		3 / 3 SER A 146
ASP A 179
GLN A 205
 ASP  A1000 (-2.2A)
ASP  A1000 (-3.6A)
None
 0.74A 4oltA-1zq1A:
undetectable
4oltB-1zq1A:
undetectable		 4oltA-1zq1A:
19.82
4oltB-1zq1A:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OLT_A_GCSA306_1
(CHITOSANASE)		 4oud TYROSYL-TRNA
SYNTHETASE
(Escherichia
coli) 		3 / 3 SER B 293
ASP B 290
GLN B 300
 SER  B 293 ( 0.0A)
ASP  B 290 ( 0.6A)
GLN  B 300 ( 0.6A)
 0.88A 4oltA-4oudB:
undetectable
4oltB-4oudB:
undetectable		 4oltA-4oudB:
20.60
4oltB-4oudB:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PAH_A_LNRA600_1
(PHENYLALANINE
HYDROXYLASE)		 1y79 PEPTIDYL-DIPEPTIDASE
DCP
(Escherichia
coli) 		4 / 6 LEU 1 550
HIS 1 469
TYR 1 607
GLU 1 498
 ASP  1 704 ( 4.7A)
ZN  1 700 (-3.2A)
LYS  1 701 (-4.1A)
ZN  1 700 ( 2.2A)
 1.03A 4pahA-1y791:
undetectable		 4pahA-1y791:
18.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PEV_B_ADNB501_1
(MEMBRANE LIPOPROTEIN
FAMILY PROTEIN)		 3pu5 EXTRACELLULAR
SOLUTE-BINDING
PROTEIN
(Bordetella
parapertussis) 		5 / 12 VAL A 140
GLY A 242
PHE A  44
GLY A 268
ASP A 136
 VAL  A 140 ( 0.6A)
GLY  A 242 ( 0.0A)
PHE  A  44 ( 1.3A)
GLY  A 268 ( 0.0A)
ASP  A 136 ( 0.6A)
 1.19A 4pevB-3pu5A:
3.1		 4pevB-3pu5A:
23.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PGH_C_SAMC401_0
(CAFFEIC ACID
O-METHYLTRANSFERASE)		 2jk0 L-ASPARAGINASE
(Pectobacterium
carotovorum) 		5 / 11 SER A 299
LEU A 156
VAL A 154
ASP A 130
MET A 121
 None
None
None
None
ASP  A1328 ( 4.3A)
 1.48A 4pghC-2jk0A:
undetectable		 4pghC-2jk0A:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4POO_A_SAMA301_0
(PUTATIVE RNA
METHYLASE)		 5ep8 PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE
(Bacillus
subtilis) 		5 / 12 GLY A 225
ASN A 226
ASP A  52
ILE A 184
SER A 183
 GLY  A 225 ( 0.0A)
ASN  A 226 ( 0.6A)
ASP  A  52 ( 0.6A)
ILE  A 184 ( 0.4A)
SER  A 183 ( 0.0A)
 1.28A 4pooA-5ep8A:
undetectable		 4pooA-5ep8A:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4POO_B_SAMB301_0
(PUTATIVE RNA
METHYLASE)		 5ep8 PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE
(Bacillus
subtilis) 		5 / 12 GLY A 225
ASN A 226
ASP A  52
ILE A 184
SER A 183
 GLY  A 225 ( 0.0A)
ASN  A 226 ( 0.6A)
ASP  A  52 ( 0.6A)
ILE  A 184 ( 0.4A)
SER  A 183 ( 0.0A)
 1.32A 4pooB-5ep8A:
undetectable		 4pooB-5ep8A:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q1W_A_017A104_2
(ASPARTYL PROTEASE)		 3kbb PHOSPHORYLATED
CARBOHYDRATES
PHOSPHATASE TM_1254
(Thermotoga
maritima) 		5 / 10 ALA A 106
ASP A   7
VAL A 162
VAL A 160
ILE A   5
 ALA  A 106 ( 0.0A)
ASP  A   7 (-0.5A)
VAL  A 162 ( 0.6A)
VAL  A 160 ( 0.6A)
ILE  A   5 ( 0.7A)
 1.05A 4q1wB-3kbbA:
undetectable		 4q1wB-3kbbA:
17.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q1Y_A_017A106_2
(ASPARTYL PROTEASE)		 1fxj UDP-N-ACETYLGLUCOSAM
INE
PYROPHOSPHORYLASE
(Escherichia
coli) 		5 / 12 ASP A 200
ILE A 201
ILE A 198
GLY A 171
ILE A 202
 ASP  A 200 ( 0.6A)
ILE  A 201 ( 0.6A)
ILE  A 198 ( 0.4A)
GLY  A 171 ( 0.0A)
ILE  A 202 ( 0.7A)
 1.01A 4q1yB-1fxjA:
undetectable		 4q1yB-1fxjA:
16.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QB9_D_PARD500_1
(ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		4 / 8 PHE A 283
THR A 319
GLU A 143
ASP A 141
 PHE  A 283 ( 1.3A)
THR  A 319 ( 0.8A)
GLU  A 143 (-0.6A)
ASP  A 141 (-0.5A)
 0.94A 4qb9D-4flxA:
undetectable		 4qb9D-4flxA:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QB9_F_PARF500_1
(ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN)		 5lmx DNA-DIRECTED RNA
POLYMERASE I SUBUNIT
RPA49
(Saccharomyces
cerevisiae) 		5 / 11 PHE M  30
GLU M  50
ASP M  39
TYR M  65
GLY M  64
 PHE  M  30 ( 1.3A)
GLU  M  50 ( 0.6A)
ASP  M  39 ( 0.5A)
TYR  M  65 ( 1.3A)
GLY  M  64 ( 0.0A)
 1.31A 4qb9F-5lmxM:
undetectable		 4qb9F-5lmxM:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QTU_B_SAMB301_1
(PUTATIVE
METHYLTRANSFERASE
BUD23)		 3wd7 TYPE III POLYKETIDE
SYNTHASES ACRIDONE
SYNTHASE
(Citrus
x
microcarpa) 		4 / 5 TYR A 165
GLN A 162
SER A 132
ASP A 207
 TYR  A 165 ( 1.3A)
GLN  A 162 ( 0.6A)
SER  A 132 ( 0.0A)
ASP  A 207 ( 0.6A)
 1.06A 4qtuB-3wd7A:
undetectable		 4qtuB-3wd7A:
19.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QTU_D_SAMD301_1
(PUTATIVE
METHYLTRANSFERASE
BUD23)		 3o96 RAC-ALPHA
SERINE/THREONINE-PRO
TEIN KINASE
(Homo
sapiens) 		4 / 5 LEU A 202
SER A 205
ASP A 292
ASP A 274
 LEU  A 202 ( 0.6A)
SER  A 205 (-0.0A)
ASP  A 292 (-0.6A)
ASP  A 274 ( 0.5A)
 1.34A 4qtuD-3o96A:
undetectable		 4qtuD-3o96A:
18.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVL_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 3whl PROTEASOME-ACTIVATIN
G NUCLEOTIDASE, 26S
PROTEASE REGULATORY
SUBUNIT 6A
(Pyrococcus
furiosus;
Saccharomyces
cerevisiae) 		5 / 11 ALA A 358
ALA A 380
GLY A 184
GLY A 185
ASP A 353
 ALA  A 358 ( 0.0A)
ALA  A 380 ( 0.0A)
GLY  A 184 (-0.0A)
GLY  A 185 ( 0.0A)
ASP  A 353 ( 0.6A)
 1.04A 4qvlK-3whlA:
undetectable
4qvlL-3whlA:
undetectable		 4qvlK-3whlA:
20.59
4qvlL-3whlA:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVL_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 3whl PROTEASOME-ACTIVATIN
G NUCLEOTIDASE, 26S
PROTEASE REGULATORY
SUBUNIT 6A
(Pyrococcus
furiosus;
Saccharomyces
cerevisiae) 		5 / 11 ALA A 358
ALA A 380
GLY A 184
GLY A 185
ASP A 353
 ALA  A 358 ( 0.0A)
ALA  A 380 ( 0.0A)
GLY  A 184 (-0.0A)
GLY  A 185 ( 0.0A)
ASP  A 353 ( 0.6A)
 1.04A 4qvlY-3whlA:
undetectable
4qvlZ-3whlA:
undetectable		 4qvlY-3whlA:
20.59
4qvlZ-3whlA:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVM_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 3whl PROTEASOME-ACTIVATIN
G NUCLEOTIDASE, 26S
PROTEASE REGULATORY
SUBUNIT 6A
(Pyrococcus
furiosus;
Saccharomyces
cerevisiae) 		5 / 9 ALA A 358
ALA A 380
GLY A 184
GLY A 185
ASP A 353
 ALA  A 358 ( 0.0A)
ALA  A 380 ( 0.0A)
GLY  A 184 (-0.0A)
GLY  A 185 ( 0.0A)
ASP  A 353 ( 0.6A)
 1.02A 4qvmK-3whlA:
undetectable
4qvmL-3whlA:
undetectable		 4qvmK-3whlA:
20.59
4qvmL-3whlA:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVM_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 3whl PROTEASOME-ACTIVATIN
G NUCLEOTIDASE, 26S
PROTEASE REGULATORY
SUBUNIT 6A
(Pyrococcus
furiosus;
Saccharomyces
cerevisiae) 		5 / 10 ALA A 358
ALA A 380
GLY A 184
GLY A 185
ASP A 353
 ALA  A 358 ( 0.0A)
ALA  A 380 ( 0.0A)
GLY  A 184 (-0.0A)
GLY  A 185 ( 0.0A)
ASP  A 353 ( 0.6A)
 1.02A 4qvmY-3whlA:
undetectable
4qvmZ-3whlA:
undetectable		 4qvmY-3whlA:
20.59
4qvmZ-3whlA:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVW_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 3whl PROTEASOME-ACTIVATIN
G NUCLEOTIDASE, 26S
PROTEASE REGULATORY
SUBUNIT 6A
(Pyrococcus
furiosus;
Saccharomyces
cerevisiae) 		5 / 11 ALA A 358
ALA A 380
GLY A 184
GLY A 185
ASP A 353
 ALA  A 358 ( 0.0A)
ALA  A 380 ( 0.0A)
GLY  A 184 (-0.0A)
GLY  A 185 ( 0.0A)
ASP  A 353 ( 0.6A)
 1.02A 4qvwK-3whlA:
undetectable
4qvwL-3whlA:
undetectable		 4qvwK-3whlA:
20.59
4qvwL-3whlA:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVW_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 3whl PROTEASOME-ACTIVATIN
G NUCLEOTIDASE, 26S
PROTEASE REGULATORY
SUBUNIT 6A
(Pyrococcus
furiosus;
Saccharomyces
cerevisiae) 		5 / 11 ALA A 358
ALA A 380
GLY A 184
GLY A 185
ASP A 353
 ALA  A 358 ( 0.0A)
ALA  A 380 ( 0.0A)
GLY  A 184 (-0.0A)
GLY  A 185 ( 0.0A)
ASP  A 353 ( 0.6A)
 1.02A 4qvwY-3whlA:
undetectable
4qvwZ-3whlA:
undetectable		 4qvwY-3whlA:
20.59
4qvwZ-3whlA:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QW3_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 3whl PROTEASOME-ACTIVATIN
G NUCLEOTIDASE, 26S
PROTEASE REGULATORY
SUBUNIT 6A
(Pyrococcus
furiosus;
Saccharomyces
cerevisiae) 		5 / 10 ALA A 358
ALA A 380
GLY A 184
GLY A 185
ASP A 353
 ALA  A 358 ( 0.0A)
ALA  A 380 ( 0.0A)
GLY  A 184 (-0.0A)
GLY  A 185 ( 0.0A)
ASP  A 353 ( 0.6A)
 1.00A 4qw3K-3whlA:
undetectable
4qw3L-3whlA:
undetectable		 4qw3K-3whlA:
20.59
4qw3L-3whlA:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QW3_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 3whl PROTEASOME-ACTIVATIN
G NUCLEOTIDASE, 26S
PROTEASE REGULATORY
SUBUNIT 6A
(Pyrococcus
furiosus;
Saccharomyces
cerevisiae) 		5 / 10 ALA A 358
ALA A 380
GLY A 184
GLY A 185
ASP A 353
 ALA  A 358 ( 0.0A)
ALA  A 380 ( 0.0A)
GLY  A 184 (-0.0A)
GLY  A 185 ( 0.0A)
ASP  A 353 ( 0.6A)
 1.00A 4qw3Y-3whlA:
undetectable
4qw3Z-3whlA:
undetectable		 4qw3Y-3whlA:
20.59
4qw3Z-3whlA:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QWP_B_GCSB304_1
(CHITOSANASE)		 1zq1 GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT D
(Pyrococcus
abyssi) 		3 / 3 GLN A 205
SER A 146
ASP A 179
 None
ASP  A1000 (-2.2A)
ASP  A1000 (-3.6A)
 0.75A 4qwpA-1zq1A:
undetectable
4qwpB-1zq1A:
undetectable		 4qwpA-1zq1A:
20.05
4qwpB-1zq1A:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QWP_B_GCSB304_1
(CHITOSANASE)		 4oud TYROSYL-TRNA
SYNTHETASE
(Escherichia
coli) 		3 / 3 GLN B 300
SER B 293
ASP B 290
 GLN  B 300 ( 0.6A)
SER  B 293 ( 0.0A)
ASP  B 290 ( 0.6A)
 0.96A 4qwpA-4oudB:
undetectable
4qwpB-4oudB:
undetectable		 4qwpA-4oudB:
20.15
4qwpB-4oudB:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R7L_A_SHHA709_1
(LEUKOTRIENE A-4
HYDROLASE)		 1y79 PEPTIDYL-DIPEPTIDASE
DCP
(Escherichia
coli) 		5 / 12 HIS 1 469
GLU 1 470
HIS 1 473
GLU 1 498
TYR 1 614
 ZN  1 700 (-3.2A)
TRP  1 702 ( 2.6A)
ZN  1 700 ( 3.3A)
ZN  1 700 ( 2.2A)
ASP  1 704 (-3.5A)
 0.51A 4r7lA-1y791:
6.9		 4r7lA-1y791:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RET_A_DGXA1107_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 1c8x ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE H
(Streptomyces
plicatus) 		5 / 12 ASP A 128
LEU A 167
PHE A 111
ALA A 173
LEU A  91
 ASP  A 128 ( 0.5A)
LEU  A 167 ( 0.5A)
PHE  A 111 ( 1.3A)
ALA  A 173 ( 0.0A)
LEU  A  91 ( 0.6A)
 1.19A 4retA-1c8xA:
undetectable		 4retA-1c8xA:
13.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RTS_A_SAMA301_0
(DNA ADENINE
METHYLASE)		 5d7w SERRALYSIN
(Serratia
marcescens) 		5 / 12 GLY A 333
GLY A 370
ASP A 394
ILE A 392
ASP A 356
 GLY  A 333 ( 0.0A)
GLY  A 370 (-0.0A)
ASP  A 394 ( 0.6A)
ILE  A 392 ( 0.7A)
ASP  A 356 ( 0.6A)
 1.25A 4rtsA-5d7wA:
undetectable		 4rtsA-5d7wA:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4U15_A_0HKA2001_1
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M3,LYSOZYME,MUSCARIN
IC ACETYLCHOLINE
RECEPTOR M3)		 3pu5 EXTRACELLULAR
SOLUTE-BINDING
PROTEIN
(Bordetella
parapertussis) 		5 / 12 ASP A 136
TYR A 135
THR A  38
ALA A  90
ALA A 272
 ASP  A 136 ( 0.6A)
TYR  A 135 ( 1.3A)
THR  A  38 ( 0.8A)
ALA  A  90 ( 0.0A)
ALA  A 272 ( 0.0A)
 1.46A 4u15A-3pu5A:
undetectable		 4u15A-3pu5A:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4U15_B_0HKB1201_1
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M3,LYSOZYME,MUSCARIN
IC ACETYLCHOLINE
RECEPTOR M3)		 1rrv GLYCOSYLTRANSFERASE
GTFD
(Amycolatopsis
orientalis) 		5 / 12 ASP A 141
THR A 108
ALA A 107
ALA A 106
TYR A 130
 ASP  A 141 (-0.6A)
THR  A 108 ( 0.8A)
ALA  A 107 ( 0.0A)
ALA  A 106 ( 0.0A)
TYR  A 130 ( 1.3A)
 1.39A 4u15B-1rrvA:
undetectable		 4u15B-1rrvA:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4U15_B_0HKB1201_1
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M3,LYSOZYME,MUSCARIN
IC ACETYLCHOLINE
RECEPTOR M3)		 3pu5 EXTRACELLULAR
SOLUTE-BINDING
PROTEIN
(Bordetella
parapertussis) 		5 / 12 ASP A 136
TYR A 135
THR A  38
ALA A  90
ALA A 272
 ASP  A 136 ( 0.6A)
TYR  A 135 ( 1.3A)
THR  A  38 ( 0.8A)
ALA  A  90 ( 0.0A)
ALA  A 272 ( 0.0A)
 1.40A 4u15B-3pu5A:
undetectable		 4u15B-3pu5A:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UAC_A_ACRA501_2
(CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT1 FAMILY
(TC 3.A.1.1.-))		 3ulk KETOL-ACID
REDUCTOISOMERASE
(Escherichia
coli) 		4 / 7 SER A 414
GLU A 221
TRP A 320
ASP A 319
 SER  A 414 ( 0.0A)
GLU  A 221 (-0.6A)
TRP  A 320 ( 0.5A)
ASP  A 319 ( 0.6A)
 1.18A 4uacA-3ulkA:
undetectable		 4uacA-3ulkA:
23.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UAC_A_ACRA501_2
(CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT1 FAMILY
(TC 3.A.1.1.-))		 4mwt LYSOSOMAL PROTECTIVE
PROTEIN
(Homo
sapiens) 		4 / 7 PRO A 432
GLU A 149
ASP A  78
THR A 311
 PRO  A 432 ( 1.1A)
GLU  A 149 ( 0.5A)
ASP  A  78 ( 0.6A)
THR  A 311 ( 0.8A)
 1.26A 4uacA-4mwtA:
undetectable		 4uacA-4mwtA:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UBP_C_HAEC800_1
(PROTEIN (UREASE
(CHAIN C)))		 4kqn D-HYDANTOINASE
(Bacillus
sp.
AR9) 		5 / 6 HIS A  58
HIS A  60
HIS A 183
HIS A 239
ASP A 315
 HIS  A  58 (-1.0A)
HIS  A  60 (-1.0A)
HIS  A 183 (-1.0A)
HIS  A 239 (-1.0A)
ASP  A 315 (-0.6A)
 0.44A 4ubpC-4kqnA:
24.0		 4ubpC-4kqnA:
25.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UCK_A_SAMA2409_1
(RNA-DIRECTED RNA
POLYMERASE L)		 1ryn PROTEIN CRS2
(Zea
mays) 		3 / 3 SER A  97
ASP A 163
ASP A  94
 SER  A  97 ( 0.0A)
ASP  A 163 ( 0.6A)
ASP  A  94 ( 0.6A)
 0.78A 4uckA-1rynA:
undetectable		 4uckA-1rynA:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UIL_H_QI9H1223_0
(FAB 314.1)		 2f5x BUGD
(Bordetella
pertussis) 		5 / 12 HIS A  69
ALA A 138
SER A 139
GLY A  17
GLY A  44
 ASP  A 901 (-3.9A)
ASP  A 901 (-3.5A)
ASP  A 901 (-2.7A)
ASP  A 901 ( 4.5A)
None
 1.23A 4uilH-2f5xA:
undetectable
4uilL-2f5xA:
undetectable		 4uilH-2f5xA:
22.54
4uilL-2f5xA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4W5Q_A_IPHA905_0
(PROTEIN ARGONAUTE-2)		 5ep8 PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE
(Bacillus
subtilis) 		4 / 6 ASP A 213
ALA A 215
THR A 210
THR A 202
 ASP  A 213 ( 0.6A)
ALA  A 215 ( 0.0A)
THR  A 210 ( 0.8A)
THR  A 202 ( 0.8A)
 1.44A 4w5qA-5ep8A:
undetectable		 4w5qA-5ep8A:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WH5_A_3QBA204_1
(LINCOSAMIDE
RESISTANCE PROTEIN)		 4mtp RNA DEPENDENT RNA
POLYMERASE
(Japanese
encephalitis
virus) 		5 / 12 GLY A 667
ASP A 668
ILE A 665
ALA A 664
HIS A 803
 GLY  A 667 ( 0.0A)
ASP  A 668 ( 0.6A)
ILE  A 665 ( 0.7A)
ALA  A 664 ( 0.0A)
HIS  A 803 ( 1.0A)
 1.28A 4wh5A-4mtpA:
undetectable		 4wh5A-4mtpA:
13.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNW_A_RTZA602_1
(CYTOCHROME P450 2D6)		 5w25 ASPARTATE--TRNA(ASP/
ASN) LIGASE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 198
GLN A 201
SER A 195
VAL A 442
PHE A 517
 None
None
ASP  A 701 (-3.6A)
None
None
 1.11A 4wnwA-5w25A:
undetectable		 4wnwA-5w25A:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WOZ_B_MN9B401_0
(N-ACETYLNEURAMINATE
LYASE)		 3sag EXOSOME COMPONENT 10
(Homo
sapiens) 		4 / 6 SER A 293
LEU A 294
ASP A 295
LEU A 345
 SER  A 293 ( 0.0A)
LEU  A 294 ( 0.6A)
ASP  A 295 ( 0.6A)
LEU  A 345 ( 0.6A)
 0.86A 4wozA-3sagA:
undetectable
4wozB-3sagA:
undetectable		 4wozA-3sagA:
21.20
4wozB-3sagA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5I_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 1v0f ENDO-ALPHA-SIALIDASE
(Enterobacteria
phage
K1F) 		3 / 3 ASP A 731
ARG A 349
ARG A 354
 ASP  A 731 ( 0.6A)
ARG  A 349 ( 0.6A)
ARG  A 354 ( 0.6A)
 0.96A 4x5iA-1v0fA:
0.0		 4x5iA-1v0fA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XDT_A_ACTA407_0
(FAD:PROTEIN FMN
TRANSFERASE)		 1wly 2-HALOACRYLATE
REDUCTASE
(Burkholderia
sp.
WS) 		3 / 3 ASP A 225
GLY A 223
ASP A 220
 ASP  A 225 ( 0.5A)
GLY  A 223 ( 0.0A)
ASP  A 220 ( 0.6A)
 0.62A 4xdtA-1wlyA:
undetectable		 4xdtA-1wlyA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XDT_A_ACTA407_0
(FAD:PROTEIN FMN
TRANSFERASE)		 4w65 GLYCOSYL HYDROLASE
FAMILY PROTEIN
(Mycolicibacteriu
m
fortuitum) 		3 / 3 ASP A 274
GLY A 107
ASP A 104
 ASP  A 274 ( 0.5A)
GLY  A 107 ( 0.0A)
ASP  A 104 ( 0.6A)
 0.63A 4xdtA-4w65A:
undetectable		 4xdtA-4w65A:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XI3_A_29SA601_1
(ESTROGEN RECEPTOR)		 3gnr OS03G0212800 PROTEIN
(Oryza
sativa) 		5 / 12 THR A 341
ALA A 343
ASP A 344
HIS A 202
LEU A 201
 THR  A 341 ( 0.8A)
ALA  A 343 ( 0.0A)
ASP  A 344 ( 0.6A)
HIS  A 202 ( 1.0A)
LEU  A 201 ( 0.6A)
 1.21A 4xi3A-3gnrA:
undetectable		 4xi3A-3gnrA:
17.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XMF_A_HSMA202_1
(NITROPHORIN-7)		 1c8x ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE H
(Streptomyces
plicatus) 		3 / 3 ASP A  39
LEU A  30
GLY A  35
 ASP  A  39 ( 0.5A)
LEU  A  30 ( 0.6A)
GLY  A  35 ( 0.0A)
 0.57A 4xmfA-1c8xA:
0.0		 4xmfA-1c8xA:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XP1_A_LDPA708_1
(DOPAMINE
TRANSPORTER, ISOFORM
B)		 5w0a GLUCANASE
(Trichoderma
harzianum) 		5 / 10 VAL A 132
ASP A 133
PHE A 249
SER A 204
SER A 135
 VAL  A 132 ( 0.6A)
ASP  A 133 ( 0.6A)
PHE  A 249 ( 1.3A)
SER  A 204 ( 0.0A)
SER  A 135 ( 0.0A)
 1.39A 4xp1A-5w0aA:
undetectable		 4xp1A-5w0aA:
9.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XQE_A_AG2A506_1
(HOMOSPERMIDINE
SYNTHASE)		 1wqa PHOSPHO-SUGAR MUTASE
(Pyrococcus
horikoshii) 		4 / 6 ARG A  11
ARG A  51
ASP A 245
VAL A  10
 ARG  A  11 ( 0.6A)
ARG  A  51 ( 0.6A)
ASP  A 245 (-0.6A)
VAL  A  10 ( 0.6A)
 0.92A 4xqeA-1wqaA:
undetectable		 4xqeA-1wqaA:
22.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XQE_A_AG2A506_1
(HOMOSPERMIDINE
SYNTHASE)		 5wm9 RV0078
(Mycobacterium
tuberculosis) 		4 / 6 ARG A  76
ARG A  24
ASP A 106
VAL A  68
 ARG  A  76 ( 0.6A)
ARG  A  24 ( 0.6A)
ASP  A 106 ( 0.6A)
VAL  A  68 ( 0.6A)
 1.33A 4xqeA-5wm9A:
undetectable		 4xqeA-5wm9A:
10.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XQE_B_AG2B505_1
(HOMOSPERMIDINE
SYNTHASE)		 1wqa PHOSPHO-SUGAR MUTASE
(Pyrococcus
horikoshii) 		4 / 6 ARG A  11
ARG A  51
ASP A 245
VAL A  10
 ARG  A  11 ( 0.6A)
ARG  A  51 ( 0.6A)
ASP  A 245 (-0.6A)
VAL  A  10 ( 0.6A)
 0.96A 4xqeB-1wqaA:
undetectable		 4xqeB-1wqaA:
22.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XQE_B_AG2B505_1
(HOMOSPERMIDINE
SYNTHASE)		 5wm9 RV0078
(Mycobacterium
tuberculosis) 		4 / 6 ARG A  76
ARG A  24
ASP A 106
VAL A  68
 ARG  A  76 ( 0.6A)
ARG  A  24 ( 0.6A)
ASP  A 106 ( 0.6A)
VAL  A  68 ( 0.6A)
 1.33A 4xqeB-5wm9A:
undetectable		 4xqeB-5wm9A:
10.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XQG_A_AG2A505_1
(HOMOSPERMIDINE
SYNTHASE)		 1wqa PHOSPHO-SUGAR MUTASE
(Pyrococcus
horikoshii) 		4 / 8 ARG A  11
ARG A  51
ASP A 245
VAL A  10
 ARG  A  11 ( 0.6A)
ARG  A  51 ( 0.6A)
ASP  A 245 (-0.6A)
VAL  A  10 ( 0.6A)
 0.97A 4xqgA-1wqaA:
undetectable		 4xqgA-1wqaA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XQG_A_AG2A505_1
(HOMOSPERMIDINE
SYNTHASE)		 5gru DIABODY PROTEIN
(Mus
musculus) 		4 / 8 ARG L  67
VAL L  86
ASP L  89
ASP L  90
 ARG  L  67 ( 0.6A)
VAL  L  86 ( 0.6A)
ASP  L  89 ( 0.6A)
ASP  L  90 ( 0.6A)
 0.90A 4xqgA-5gruL:
undetectable		 4xqgA-5gruL:
17.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XQG_B_AG2B505_1
(HOMOSPERMIDINE
SYNTHASE)		 1wqa PHOSPHO-SUGAR MUTASE
(Pyrococcus
horikoshii) 		4 / 8 ARG A  11
ARG A  51
ASP A 245
VAL A  10
 ARG  A  11 ( 0.6A)
ARG  A  51 ( 0.6A)
ASP  A 245 (-0.6A)
VAL  A  10 ( 0.6A)
 0.96A 4xqgB-1wqaA:
undetectable		 4xqgB-1wqaA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XQG_B_AG2B505_1
(HOMOSPERMIDINE
SYNTHASE)		 5gru DIABODY PROTEIN
(Mus
musculus) 		4 / 8 ARG L  67
VAL L  86
ASP L  89
ASP L  90
 ARG  L  67 ( 0.6A)
VAL  L  86 ( 0.6A)
ASP  L  89 ( 0.6A)
ASP  L  90 ( 0.6A)
 0.89A 4xqgB-5gruL:
undetectable		 4xqgB-5gruL:
17.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YHA_B_MZMB303_1
(ALPHA-CARBONIC
ANHYDRASE)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		5 / 10 ASP A 305
VAL A 309
LEU A 181
THR A 178
ALA A 180
 ASP  A 305 ( 0.5A)
VAL  A 309 ( 0.6A)
LEU  A 181 ( 0.6A)
THR  A 178 ( 0.8A)
ALA  A 180 ( 0.0A)
 1.37A 4yhaB-3sl5A:
undetectable		 4yhaB-3sl5A:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YO9_B_ACTB401_0
(3C-LIKE PROTEINASE)		 4yzr POLYKETIDE
BIOSYNTHESIS
CYTOCHROME P450 PKSS
(Bacillus
subtilis) 		3 / 3 ARG A  61
ASP A  59
TYR A 302
 ARG  A  61 ( 0.6A)
ASP  A  59 ( 0.6A)
TYR  A 302 ( 1.3A)
 0.83A 4yo9B-4yzrA:
undetectable		 4yo9B-4yzrA:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YOA_A_017A100_1
(HIV-1 PROTEASE)		 2an1 PUTATIVE KINASE
(Salmonella
enterica) 		4 / 6 ASP A 264
THR A 183
PRO A 184
THR A 185
 ASP  A 264 ( 0.6A)
THR  A 183 ( 0.8A)
PRO  A 184 ( 1.1A)
THR  A 185 ( 0.8A)
 1.14A 4yoaA-2an1A:
undetectable		 4yoaA-2an1A:
17.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YVG_A_SAMA301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		 2j0w LYSINE-SENSITIVE
ASPARTOKINASE 3
(Escherichia
coli) 		5 / 12 PRO A 261
GLY A 197
GLY A 357
GLY A 199
GLY A 200
 None
None
None
ASP  A 502 (-3.1A)
ASP  A 502 (-4.2A)
 0.72A 4yvgA-2j0wA:
undetectable		 4yvgA-2j0wA:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z2E_H_TR6H101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
SYMMETRIZED E-SITE
DNA)		 5w25 ASPARTATE--TRNA(ASP/
ASN) LIGASE
(Mycobacterium
tuberculosis) 		3 / 5 GLY A 489
GLY A 487
GLU A 485
 ASP  A 701 ( 4.0A)
None
None
 0.49A 4z2eA-5w25A:
undetectable
4z2eD-5w25A:
undetectable		 4z2eA-5w25A:
22.02
4z2eD-5w25A:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z4F_A_IPHA904_0
(PROTEIN ARGONAUTE-2)		 5ep8 PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE
(Bacillus
subtilis) 		4 / 6 ASP A 213
ALA A 215
THR A 210
THR A 202
 ASP  A 213 ( 0.6A)
ALA  A 215 ( 0.0A)
THR  A 210 ( 0.8A)
THR  A 202 ( 0.8A)
 1.44A 4z4fA-5ep8A:
undetectable		 4z4fA-5ep8A:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z53_F_TR6F101_1
(DNA TOPOISOMERASE 4
SUBUNIT B,DNA
TOPOISOMERASE 4
SUBUNIT A
E-SITE DNA)		 2j5b TYROSYL-TRNA
SYNTHETASE
(Acanthamoeba
polyphaga
mimivirus) 		4 / 6 GLY A 230
ASP A 227
GLY A 218
ARG A 247
 GLY  A 230 ( 0.0A)
ASP  A 227 ( 0.5A)
GLY  A 218 ( 0.0A)
ARG  A 247 ( 0.6A)
 0.92A 4z53A-2j5bA:
undetectable
4z53B-2j5bA:
1.8		 4z53A-2j5bA:
17.36
4z53B-2j5bA:
17.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z53_H_TR6H101_1
(DNA TOPOISOMERASE 4
SUBUNIT B,DNA
TOPOISOMERASE 4
SUBUNIT A
E-SITE DNA)		 2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50
(Geobacillus
stearothermophil
us) 		4 / 7 GLY A  84
ASP A  83
GLY A  58
GLU A  78
 GLY  A  84 ( 0.0A)
ASP  A  83 ( 0.6A)
GLY  A  58 ( 0.0A)
GLU  A  78 ( 0.6A)
 0.94A 4z53A-2ogsA:
2.2
4z53B-2ogsA:
1.7		 4z53A-2ogsA:
21.16
4z53B-2ogsA:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZBQ_A_DIFA602_1
(SERUM ALBUMIN)		 2hk0 D-PSICOSE
3-EPIMERASE
(Agrobacterium
tumefaciens) 		4 / 8 ASP A 275
ASN A 278
ALA A 279
GLU A 212
 ASP  A 275 ( 0.6A)
ASN  A 278 ( 0.6A)
ALA  A 279 ( 0.0A)
GLU  A 212 ( 0.6A)
 0.90A 4zbqA-2hk0A:
undetectable		 4zbqA-2hk0A:
19.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_1
(ANTI-TICAGRELOR FAB
72, HEAVY CHAIN
ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		5 / 9 ILE A  93
THR A  98
TYR A 100
PRO A  82
ASP A 102
 ILE  A  93 ( 0.7A)
THR  A  98 ( 0.8A)
TYR  A 100 ( 1.3A)
PRO  A  82 ( 1.1A)
ASP  A 102 ( 0.6A)
 1.50A 5alcH-2nvvA:
0.0		 5alcH-2nvvA:
17.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B3S_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3gnr OS03G0212800 PROTEIN
(Oryza
sativa) 		4 / 7 HIS A 219
ASP A 304
THR A 302
HIS A 220
 HIS  A 219 ( 1.0A)
ASP  A 304 ( 0.6A)
THR  A 302 ( 0.8A)
HIS  A 220 ( 1.0A)
 1.46A 5b3sN-3gnrA:
undetectable
5b3sP-3gnrA:
undetectable		 5b3sN-3gnrA:
21.63
5b3sP-3gnrA:
19.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B6I_A_ADNA302_1
(FLUORINASE)		 4w65 GLYCOSYL HYDROLASE
FAMILY PROTEIN
(Mycolicibacteriu
m
fortuitum) 		4 / 7 ASP A 270
TYR A 267
PRO A 268
THR A 266
 ASP  A 270 ( 0.5A)
TYR  A 267 ( 1.3A)
PRO  A 268 ( 1.1A)
THR  A 266 ( 0.8A)
 1.28A 5b6iA-4w65A:
undetectable		 5b6iA-4w65A:
22.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BMV_C_VLBC507_1
(TUBULIN BETA CHAIN
TUBULIN ALPHA-1B
CHAIN)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		4 / 6 ASP A 172
TYR A 188
TYR A 282
LEU A 345
 ASP  A 172 ( 0.6A)
TYR  A 188 ( 1.3A)
TYR  A 282 ( 1.3A)
LEU  A 345 ( 0.6A)
 1.08A 5bmvB-2nvvA:
undetectable		 5bmvB-2nvvA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BMV_C_VLBC507_1
(TUBULIN BETA CHAIN
TUBULIN ALPHA-1B
CHAIN)		 3qvi HISTO-ASPARTIC
PROTEASE
(Plasmodium
falciparum) 		4 / 6 ASP A  67
TYR A  99
TYR A  56
LEU A  20
 ASP  A  67 ( 0.6A)
TYR  A  99 ( 1.3A)
TYR  A  56 ( 1.3A)
LEU  A  20 ( 0.5A)
 1.20A 5bmvB-3qviA:
undetectable		 5bmvB-3qviA:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BTD_G_GFNG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 1rrv GLYCOSYLTRANSFERASE
GTFD
(Amycolatopsis
orientalis) 		4 / 7 ALA A 388
ASP A 221
ARG A 223
GLU A  45
 ALA  A 388 ( 0.0A)
ASP  A 221 ( 0.6A)
ARG  A 223 (-0.6A)
GLU  A  45 ( 0.6A)
 0.93A 5btdA-1rrvA:
0.0
5btdC-1rrvA:
undetectable
5btdD-1rrvA:
2.3		 5btdA-1rrvA:
25.98
5btdC-1rrvA:
25.98
5btdD-1rrvA:
22.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BTF_G_GFNG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 4kqn D-HYDANTOINASE
(Bacillus
sp.
AR9) 		4 / 7 SER A 233
ASP A 163
ARG A 223
GLU A 219
 SER  A 233 ( 0.0A)
ASP  A 163 ( 0.6A)
ARG  A 223 ( 0.6A)
GLU  A 219 ( 0.6A)
 1.11A 5btfA-4kqnA:
undetectable
5btfC-4kqnA:
undetectable
5btfD-4kqnA:
undetectable		 5btfA-4kqnA:
22.00
5btfC-4kqnA:
22.00
5btfD-4kqnA:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BW4_B_SAMB301_1
(16S RRNA
(ADENINE(1408)-N(1))
-METHYLTRANSFERASE)		 5jja SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
56 KDA REGULATORY
SUBUNIT GAMMA
ISOFORM
(Homo
sapiens) 		3 / 3 ASP A 278
GLU A 241
SER A 318
 ASP  A 278 ( 0.6A)
GLU  A 241 ( 0.6A)
SER  A 318 ( 0.0A)
 0.64A 5bw4B-5jjaA:
undetectable		 5bw4B-5jjaA:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BXN_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 3whl PROTEASOME-ACTIVATIN
G NUCLEOTIDASE, 26S
PROTEASE REGULATORY
SUBUNIT 6A
(Pyrococcus
furiosus;
Saccharomyces
cerevisiae) 		5 / 11 ALA A 358
ALA A 380
GLY A 184
GLY A 185
ASP A 353
 ALA  A 358 ( 0.0A)
ALA  A 380 ( 0.0A)
GLY  A 184 (-0.0A)
GLY  A 185 ( 0.0A)
ASP  A 353 ( 0.6A)
 1.03A 5bxnK-3whlA:
undetectable
5bxnL-3whlA:
undetectable		 5bxnK-3whlA:
20.59
5bxnL-3whlA:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CDN_G_EVPG2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 4g9k ROTENONE-INSENSITIVE
NADH-UBIQUINONE
OXIDOREDUCTASE
(Saccharomyces
cerevisiae) 		5 / 6 SER A  83
GLU A 126
GLY A 382
ASP A 383
GLY A  64
 SER  A  83 (-0.0A)
GLU  A 126 ( 0.5A)
GLY  A 382 (-0.0A)
ASP  A 383 (-0.5A)
GLY  A  64 (-0.0A)
 1.05A 5cdnA-4g9kA:
undetectable
5cdnB-4g9kA:
2.2		 5cdnA-4g9kA:
22.75
5cdnB-4g9kA:
16.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CDN_O_EVPO2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 4g9k ROTENONE-INSENSITIVE
NADH-UBIQUINONE
OXIDOREDUCTASE
(Saccharomyces
cerevisiae) 		4 / 6 GLU A 126
GLY A 382
ASP A 383
GLY A  64
 GLU  A 126 ( 0.5A)
GLY  A 382 (-0.0A)
ASP  A 383 (-0.5A)
GLY  A  64 (-0.0A)
 0.74A 5cdnC-4g9kA:
undetectable
5cdnD-4g9kA:
undetectable		 5cdnC-4g9kA:
22.75
5cdnD-4g9kA:
16.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CDN_P_EVPP2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 4g9k ROTENONE-INSENSITIVE
NADH-UBIQUINONE
OXIDOREDUCTASE
(Saccharomyces
cerevisiae) 		4 / 6 GLU A 126
GLY A 382
ASP A 383
GLY A  64
 GLU  A 126 ( 0.5A)
GLY  A 382 (-0.0A)
ASP  A 383 (-0.5A)
GLY  A  64 (-0.0A)
 0.78A 5cdnT-4g9kA:
undetectable
5cdnU-4g9kA:
undetectable		 5cdnT-4g9kA:
22.75
5cdnU-4g9kA:
16.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5D0X_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 3whl PROTEASOME-ACTIVATIN
G NUCLEOTIDASE, 26S
PROTEASE REGULATORY
SUBUNIT 6A
(Pyrococcus
furiosus;
Saccharomyces
cerevisiae) 		5 / 9 ALA A 358
ALA A 380
GLY A 184
GLY A 185
ASP A 353
 ALA  A 358 ( 0.0A)
ALA  A 380 ( 0.0A)
GLY  A 184 (-0.0A)
GLY  A 185 ( 0.0A)
ASP  A 353 ( 0.6A)
 1.04A 5d0xK-3whlA:
undetectable
5d0xL-3whlA:
undetectable		 5d0xK-3whlA:
20.59
5d0xL-3whlA:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5D0X_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 3whl PROTEASOME-ACTIVATIN
G NUCLEOTIDASE, 26S
PROTEASE REGULATORY
SUBUNIT 6A
(Pyrococcus
furiosus;
Saccharomyces
cerevisiae) 		5 / 9 ALA A 358
ALA A 380
GLY A 184
GLY A 185
ASP A 353
 ALA  A 358 ( 0.0A)
ALA  A 380 ( 0.0A)
GLY  A 184 (-0.0A)
GLY  A 185 ( 0.0A)
ASP  A 353 ( 0.6A)
 1.03A 5d0xY-3whlA:
undetectable
5d0xZ-3whlA:
undetectable		 5d0xY-3whlA:
20.59
5d0xZ-3whlA:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DSG_B_0HKB1201_2
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M4,ENDOLYSIN,ENDOLYS
IN,MUSCARINIC
ACETYLCHOLINE
RECEPTOR M4)		 5l5n PLEXIN-A4
(Mus
musculus) 		3 / 3 ASP A 368
ASN A 363
PHE A 357
 ASP  A 368 ( 0.5A)
ASN  A 363 ( 0.6A)
PHE  A 357 ( 1.3A)
 0.66A 5dsgB-5l5nA:
undetectable		 5dsgB-5l5nA:
17.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E3I_A_HISA502_0
(HISTIDINE--TRNA
LIGASE)		 5w25 ASPARTATE--TRNA(ASP/
ASN) LIGASE
(Mycobacterium
tuberculosis) 		5 / 12 ARG A 219
GLN A 233
GLY A 489
GLY A 533
ALA A 535
 ASP  A 701 (-3.2A)
ASP  A 701 (-3.3A)
ASP  A 701 ( 4.0A)
None
ASP  A 701 (-3.6A)
 0.29A 5e3iA-5w25A:
14.4		 5e3iA-5w25A:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E3I_A_HISA502_0
(HISTIDINE--TRNA
LIGASE)		 5w25 ASPARTATE--TRNA(ASP/
ASN) LIGASE
(Mycobacterium
tuberculosis) 		5 / 12 GLU A 173
GLN A 233
GLY A 488
GLY A 489
ALA A 535
 ASP  A 701 (-3.2A)
ASP  A 701 (-3.3A)
None
ASP  A 701 ( 4.0A)
ASP  A 701 (-3.6A)
 1.13A 5e3iA-5w25A:
14.4		 5e3iA-5w25A:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E3I_A_HISA502_0
(HISTIDINE--TRNA
LIGASE)		 5w25 ASPARTATE--TRNA(ASP/
ASN) LIGASE
(Mycobacterium
tuberculosis) 		5 / 12 GLU A 173
GLN A 233
GLY A 489
GLY A 533
ALA A 535
 ASP  A 701 (-3.2A)
ASP  A 701 (-3.3A)
ASP  A 701 ( 4.0A)
None
ASP  A 701 (-3.6A)
 0.86A 5e3iA-5w25A:
14.4		 5e3iA-5w25A:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E3I_B_HISB502_0
(HISTIDINE--TRNA
LIGASE)		 5w25 ASPARTATE--TRNA(ASP/
ASN) LIGASE
(Mycobacterium
tuberculosis) 		5 / 11 ARG A 219
GLN A 233
GLY A 489
GLY A 533
ALA A 535
 ASP  A 701 (-3.2A)
ASP  A 701 (-3.3A)
ASP  A 701 ( 4.0A)
None
ASP  A 701 (-3.6A)
 0.28A 5e3iB-5w25A:
14.3		 5e3iB-5w25A:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E3I_B_HISB502_0
(HISTIDINE--TRNA
LIGASE)		 5w25 ASPARTATE--TRNA(ASP/
ASN) LIGASE
(Mycobacterium
tuberculosis) 		5 / 11 GLU A 173
GLN A 233
GLY A 488
GLY A 489
ALA A 535
 ASP  A 701 (-3.2A)
ASP  A 701 (-3.3A)
None
ASP  A 701 ( 4.0A)
ASP  A 701 (-3.6A)
 1.12A 5e3iB-5w25A:
14.3		 5e3iB-5w25A:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E3I_B_HISB502_0
(HISTIDINE--TRNA
LIGASE)		 5w25 ASPARTATE--TRNA(ASP/
ASN) LIGASE
(Mycobacterium
tuberculosis) 		5 / 11 GLU A 173
GLN A 233
GLY A 489
GLY A 533
ALA A 535
 ASP  A 701 (-3.2A)
ASP  A 701 (-3.3A)
ASP  A 701 ( 4.0A)
None
ASP  A 701 (-3.6A)
 0.86A 5e3iB-5w25A:
14.3		 5e3iB-5w25A:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E5J_A_017A201_3
(PROTEASE)		 1wqa PHOSPHO-SUGAR MUTASE
(Pyrococcus
horikoshii) 		3 / 3 ASP A 243
VAL A 250
LEU A 224
 ASP  A 243 (-0.6A)
VAL  A 250 ( 0.6A)
LEU  A 224 ( 0.6A)
 0.66A 5e5jB-1wqaA:
undetectable		 5e5jB-1wqaA:
14.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E72_A_SAMA400_1
(N2,
N2-DIMETHYLGUANOSINE
TRNA
METHYLTRANSFERASE)		 4rhy HYPOXANTHINE-GUANINE
PHOSPHORIBOSYLTRANSF
ERASE
(Mycobacterium
tuberculosis) 		4 / 4 ASP A 182
GLY A  67
ASP A 123
ASP A 126
 ASP  A 182 ( 0.5A)
GLY  A  67 (-0.0A)
ASP  A 123 (-0.6A)
ASP  A 126 (-0.5A)
 1.15A 5e72A-4rhyA:
undetectable		 5e72A-4rhyA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEI_A_SHHA2004_1
(HDAC6 PROTEIN)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		5 / 12 PRO A  36
GLY A  22
PHE A  23
ASP A  68
LEU A  71
 PRO  A  36 ( 1.1A)
GLY  A  22 ( 0.0A)
PHE  A  23 ( 1.3A)
ASP  A  68 ( 0.5A)
LEU  A  71 ( 0.6A)
 1.24A 5eeiA-2nvvA:
undetectable		 5eeiA-2nvvA:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEI_B_SHHB801_1
(HDAC6 PROTEIN)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		5 / 12 PRO A  36
GLY A  22
PHE A  23
ASP A  68
LEU A  71
 PRO  A  36 ( 1.1A)
GLY  A  22 ( 0.0A)
PHE  A  23 ( 1.3A)
ASP  A  68 ( 0.5A)
LEU  A  71 ( 0.6A)
 1.23A 5eeiB-2nvvA:
2.1		 5eeiB-2nvvA:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5F8Y_A_X6XA202_1
(GALNAC/GAL-SPECIFIC
LECTIN)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		5 / 8 GLU A 339
VAL A 157
HIS A 160
ASP A 201
HIS A 233
 GLU  A 339 ( 0.5A)
VAL  A 157 ( 0.6A)
HIS  A 160 ( 1.0A)
ASP  A 201 ( 0.5A)
HIS  A 233 ( 1.0A)
 1.31A 5f8yA-3sl5A:
undetectable		 5f8yA-3sl5A:
16.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5F8Y_B_X6XB201_1
(GALNAC/GAL-SPECIFIC
LECTIN)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		5 / 8 GLU A 339
VAL A 157
HIS A 160
ASP A 201
HIS A 233
 GLU  A 339 ( 0.5A)
VAL  A 157 ( 0.6A)
HIS  A 160 ( 1.0A)
ASP  A 201 ( 0.5A)
HIS  A 233 ( 1.0A)
 1.34A 5f8yB-3sl5A:
undetectable		 5f8yB-3sl5A:
16.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FCT_B_C2FB402_1
(THYMIDYLATE SYNTHASE)		 1ng0 COAT PROTEIN
(Cocksfoot
mottle
virus) 		3 / 3 ASN A 158
ASP A 164
GLY A 177
 ASN  A 158 ( 0.6A)
ASP  A 164 ( 0.6A)
GLY  A 177 ( 0.0A)
 0.67A 5fctB-1ng0A:
undetectable		 5fctB-1ng0A:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5G5G_A_ACTA1231_0
(PUTATIVE XANTHINE
DEHYDROGENASE YAGR
MOLYBDENUM-BINDING
SU SUBUNIT
PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT)		 2zal L-ASPARAGINASE
L-ASPARAGINASE
(Escherichia
coli;
Escherichia
coli) 		3 / 3 ARG B 207
THR B 197
ASP A  83
 ASP  B 501 ( 2.8A)
ASP  B 501 ( 3.9A)
None
 0.94A 5g5gA-2zalB:
undetectable
5g5gB-2zalB:
undetectable		 5g5gA-2zalB:
20.52
5g5gB-2zalB:
18.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5G5G_A_ACTA1231_0
(PUTATIVE XANTHINE
DEHYDROGENASE YAGR
MOLYBDENUM-BINDING
SU SUBUNIT
PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT)		 4o48 UNCHARACTERIZED
PROTEIN
(Cavia
porcellus) 		3 / 3 ARG A 196
THR A 186
ASP A  78
 ASP  A 402 (-2.7A)
ASP  A 402 (-3.7A)
None
 0.84A 5g5gA-4o48A:
undetectable
5g5gB-4o48A:
undetectable		 5g5gA-4o48A:
22.22
5g5gB-4o48A:
23.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5G5G_B_ACTB1321_0
(PUTATIVE XANTHINE
DEHYDROGENASE YAGR
MOLYBDENUM-BINDING
SU SUBUNIT)		 5wo1 PERIPLASMIC
CHAPERONE SPY
(Escherichia
coli) 		3 / 3 THR A  35
ASP A  36
ALA A  37
 THR  A  35 (-0.8A)
ASP  A  36 (-0.5A)
ALA  A  37 ( 0.0A)
 0.06A 5g5gB-5wo1A:
undetectable		 5g5gB-5wo1A:
15.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GLM_A_ACTA613_0
(GLYCOSIDE HYDROLASE
FAMILY 43)		 3qvi HISTO-ASPARTIC
PROTEASE
(Plasmodium
falciparum) 		3 / 3 ASP A  68
SER A  58
TYR A  64
 ASP  A  68 ( 0.5A)
SER  A  58 ( 0.0A)
TYR  A  64 ( 1.3A)
 0.66A 5glmA-3qviA:
undetectable		 5glmA-3qviA:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GQB_A_GCSA602_1
(CHITINASE)		 4zke SUPERKILLER PROTEIN
7
(Saccharomyces
cerevisiae) 		3 / 3 TRP A 498
GLU A 440
ASP A 435
 TRP  A 498 ( 0.5A)
GLU  A 440 ( 0.6A)
ASP  A 435 ( 0.6A)
 1.01A 5gqbA-4zkeA:
undetectable		 5gqbA-4zkeA:
21.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GQB_A_GCSA602_1
(CHITINASE)		 5gpr CHITINASE
(Ostrinia
furnacalis) 		3 / 3 TRP A 268
GLU A 308
ASP A 384
 TRP  A 268 ( 0.5A)
GLU  A 308 ( 0.6A)
ASP  A 384 ( 0.5A)
 0.28A 5gqbA-5gprA:
67.9		 5gqbA-5gprA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GQB_A_GCSA603_1
(CHITINASE)		 5gpr CHITINASE
(Ostrinia
furnacalis) 		8 / 8 PHE A 184
GLY A 267
TRP A 268
GLU A 308
TYR A 383
ASP A 384
ARG A 439
TRP A 532
 PHE  A 184 ( 1.3A)
GLY  A 267 ( 0.0A)
TRP  A 268 ( 0.5A)
GLU  A 308 ( 0.6A)
TYR  A 383 ( 1.3A)
ASP  A 384 ( 0.5A)
ARG  A 439 ( 0.6A)
TRP  A 532 ( 0.5A)
 0.27A 5gqbA-5gprA:
67.9		 5gqbA-5gprA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GWX_A_SAMA301_1
(GLYCINE SARCOSINE
N-METHYLTRANSFERASE)		 3r6y ASPARTASE
(Bacillus
sp.
YM55-1) 		3 / 3 ARG A 210
ASN A 287
ASP A 294
 ARG  A 210 ( 0.6A)
ASN  A 287 ( 0.6A)
ASP  A 294 ( 0.6A)
 0.78A 5gwxA-3r6yA:
undetectable		 5gwxA-3r6yA:
20.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5H3A_A_D16A401_1
(ORF70)		 1omo ALANINE
DEHYDROGENASE
(Archaeoglobus
fulgidus) 		4 / 7 PHE A 288
ILE A 268
ASP A 277
GLY A 278
 PHE  A 288 ( 1.3A)
ILE  A 268 ( 0.3A)
ASP  A 277 ( 0.5A)
GLY  A 278 ( 0.0A)
 0.86A 5h3aA-1omoA:
undetectable		 5h3aA-1omoA:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5H3A_B_D16B401_1
(ORF70)		 1omo ALANINE
DEHYDROGENASE
(Archaeoglobus
fulgidus) 		4 / 7 PHE A 288
ILE A 268
ASP A 277
GLY A 278
 PHE  A 288 ( 1.3A)
ILE  A 268 ( 0.3A)
ASP  A 277 ( 0.5A)
GLY  A 278 ( 0.0A)
 0.84A 5h3aB-1omoA:
0.0		 5h3aB-1omoA:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HG0_A_SAMA301_0
(PANTOTHENATE
SYNTHETASE)		 4oud TYROSYL-TRNA
SYNTHETASE
(Escherichia
coli) 		5 / 12 HIS B  48
GLY B  50
GLN B 179
ASP B 200
THR B 229
 HIS  B  48 ( 1.0A)
GLY  B  50 ( 0.0A)
GLN  B 179 ( 0.6A)
ASP  B 200 ( 0.6A)
THR  B 229 ( 0.8A)
 1.03A 5hg0A-4oudB:
6.8		 5hg0A-4oudB:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HI2_A_BAXA801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 1omo ALANINE
DEHYDROGENASE
(Archaeoglobus
fulgidus) 		5 / 8 ILE A 175
VAL A 207
ILE A 285
ASP A 189
PHE A 128
 ILE  A 175 ( 0.6A)
VAL  A 207 ( 0.6A)
ILE  A 285 ( 0.7A)
ASP  A 189 ( 0.6A)
PHE  A 128 ( 1.3A)
 1.49A 5hi2A-1omoA:
undetectable		 5hi2A-1omoA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HIE_A_P06A801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 3c3n DIHYDROOROTATE
DEHYDROGENASE
(Trypanosoma
cruzi) 		4 / 7 ILE A 227
GLY A 224
PHE A  17
ASP A 258
 ILE  A 227 (-0.4A)
GLY  A 224 (-0.0A)
PHE  A  17 ( 1.3A)
ASP  A 258 ( 0.5A)
 0.98A 5hieA-3c3nA:
undetectable		 5hieA-3c3nA:
21.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HIE_C_P06C801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 5d7a TRAF2 AND
NCK-INTERACTING
PROTEIN KINASE
(Homo
sapiens) 		6 / 12 GLY A  32
GLY A  34
VAL A  39
ALA A  52
LYS A  54
ASP A 171
 GLY  A  32 ( 0.0A)
GLY  A  34 ( 0.0A)
VAL  A  39 (-0.6A)
ALA  A  52 (-0.0A)
LYS  A  54 ( 0.0A)
ASP  A 171 ( 0.5A)
 0.83A 5hieC-5d7aA:
25.8		 5hieC-5d7aA:
30.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HP1_A_PPFA602_1
(HIV-1 REVERSE
TRANSCRIPTASE P66
SUBUNIT)		 3ghg FIBRINOGEN GAMMA
CHAIN
(Homo
sapiens) 		4 / 6 ARG C 247
ASP C 285
GLY C 284
ASP C 261
 ARG  C 247 ( 0.6A)
ASP  C 285 ( 0.6A)
GLY  C 284 ( 0.0A)
ASP  C 261 ( 0.6A)
 1.34A 5hp1A-3ghgC:
undetectable		 5hp1A-3ghgC:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I73_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		 2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50
(Geobacillus
stearothermophil
us) 		5 / 12 ASP A 380
ILE A 304
PHE A 488
LEU A 204
VAL A 306
 ASP  A 380 ( 0.6A)
ILE  A 304 ( 0.7A)
PHE  A 488 ( 1.3A)
LEU  A 204 ( 0.6A)
VAL  A 306 ( 0.6A)
 0.95A 5i73A-2ogsA:
undetectable		 5i73A-2ogsA:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IQB_D_KAND600_1
(BIFUNCTIONAL AAC/APH)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		5 / 12 ASP A 315
ASP A 141
TYR A 311
GLU A 294
TYR A 291
 ASP  A 315 (-0.5A)
ASP  A 141 (-0.5A)
TYR  A 311 ( 1.3A)
GLU  A 294 ( 0.6A)
TYR  A 291 ( 1.3A)
 1.29A 5iqbD-4flxA:
1.3		 5iqbD-4flxA:
17.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IQE_B_NMYB600_1
(BIFUNCTIONAL AAC/APH)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		5 / 10 ASP A 315
ASP A 141
TYR A 311
GLU A 294
TYR A 291
 ASP  A 315 (-0.5A)
ASP  A 141 (-0.5A)
TYR  A 311 ( 1.3A)
GLU  A 294 ( 0.6A)
TYR  A 291 ( 1.3A)
 1.46A 5iqeB-4flxA:
2.5		 5iqeB-4flxA:
17.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IQE_D_NMYD600_1
(BIFUNCTIONAL AAC/APH)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		5 / 12 ASP A 315
ASP A 141
TYR A 311
GLU A 294
TYR A 291
 ASP  A 315 (-0.5A)
ASP  A 141 (-0.5A)
TYR  A 311 ( 1.3A)
GLU  A 294 ( 0.6A)
TYR  A 291 ( 1.3A)
 1.32A 5iqeD-4flxA:
2.5		 5iqeD-4flxA:
17.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IQG_B_51GB600_1
(BIFUNCTIONAL AAC/APH)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		5 / 10 ASP A 315
ASP A 141
TYR A 311
GLU A 294
TYR A 291
 ASP  A 315 (-0.5A)
ASP  A 141 (-0.5A)
TYR  A 311 ( 1.3A)
GLU  A 294 ( 0.6A)
TYR  A 291 ( 1.3A)
 1.47A 5iqgB-4flxA:
0.0		 5iqgB-4flxA:
17.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JGL_B_SAMB301_1
(UBIE/COQ5 FAMILY
METHYLTRANSFERASE,
PUTATIVE)		 3pu5 EXTRACELLULAR
SOLUTE-BINDING
PROTEIN
(Bordetella
parapertussis) 		3 / 3 ASP A 136
ASN A  47
PHE A  92
 ASP  A 136 ( 0.6A)
ASN  A  47 ( 0.6A)
PHE  A  92 ( 1.3A)
 0.92A 5jglB-3pu5A:
undetectable		 5jglB-3pu5A:
24.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KC4_E_RBFE201_2
(RIBOFLAVIN
TRANSPORTER RIBU)		 1wqa PHOSPHO-SUGAR MUTASE
(Pyrococcus
horikoshii) 		3 / 3 LYS A 155
ASP A 152
ILE A 161
 LYS  A 155 ( 0.0A)
ASP  A 152 ( 0.6A)
ILE  A 161 ( 0.7A)
 0.87A 5kc4E-1wqaA:
0.0		 5kc4E-1wqaA:
17.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KVA_A_SAMA301_1
(CAFFEOYL-COA
O-METHYLTRANSFERASE)		 1vho ENDOGLUCANASE
(Thermotoga
maritima) 		3 / 3 THR A 227
SER A 300
ASP A 285
 THR  A 227 ( 0.8A)
SER  A 300 ( 0.0A)
ASP  A 285 ( 0.5A)
 0.80A 5kvaA-1vhoA:
undetectable		 5kvaA-1vhoA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L1F_C_6ZPC902_1
(GLUTAMATE RECEPTOR 2)		 4zke SUPERKILLER PROTEIN
7
(Saccharomyces
cerevisiae) 		4 / 7 ASP A 376
PRO A 377
TYR A 380
ASN A 728
 ASP  A 376 ( 0.6A)
PRO  A 377 ( 1.1A)
TYR  A 380 ( 1.3A)
ASN  A 728 ( 0.6A)
 1.02A 5l1fC-4zkeA:
4.6		 5l1fC-4zkeA:
20.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L1F_D_6ZPD902_1
(GLUTAMATE RECEPTOR 2)		 2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50
(Geobacillus
stearothermophil
us) 		5 / 10 SER A  81
ASP A  83
PRO A  33
LEU A  85
SER A 114
 SER  A  81 ( 0.0A)
ASP  A  83 ( 0.6A)
PRO  A  33 ( 1.1A)
LEU  A  85 ( 0.6A)
SER  A 114 ( 0.0A)
 1.49A 5l1fD-2ogsA:
2.7		 5l1fD-2ogsA:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L8D_B_ACTB601_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		 3r9r PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE
(Mycobacteroides
abscessus) 		3 / 3 THR A 181
PRO A 138
ASP A 136
 THR  A 181 ( 0.8A)
PRO  A 138 ( 1.1A)
ASP  A 136 ( 0.6A)
 0.91A 5l8dB-3r9rA:
undetectable		 5l8dB-3r9rA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LG3_F_Z80F401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 4g9k ROTENONE-INSENSITIVE
NADH-UBIQUINONE
OXIDOREDUCTASE
(Saccharomyces
cerevisiae) 		5 / 10 ILE A 336
PHE A 208
VAL A 233
ASP A 249
ILE A 268
 ILE  A 336 ( 0.7A)
PHE  A 208 ( 1.3A)
VAL  A 233 ( 0.6A)
ASP  A 249 ( 0.6A)
ILE  A 268 ( 0.7A)
 1.25A 5lg3F-4g9kA:
undetectable		 5lg3F-4g9kA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LG3_G_Z80G401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 4g9k ROTENONE-INSENSITIVE
NADH-UBIQUINONE
OXIDOREDUCTASE
(Saccharomyces
cerevisiae) 		5 / 10 ILE A 336
PHE A 208
VAL A 233
ASP A 249
ILE A 268
 ILE  A 336 ( 0.7A)
PHE  A 208 ( 1.3A)
VAL  A 233 ( 0.6A)
ASP  A 249 ( 0.6A)
ILE  A 268 ( 0.7A)
 1.24A 5lg3G-4g9kA:
undetectable		 5lg3G-4g9kA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LG3_H_Z80H401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 4g9k ROTENONE-INSENSITIVE
NADH-UBIQUINONE
OXIDOREDUCTASE
(Saccharomyces
cerevisiae) 		5 / 10 ILE A 336
PHE A 208
VAL A 233
ASP A 249
ILE A 268
 ILE  A 336 ( 0.7A)
PHE  A 208 ( 1.3A)
VAL  A 233 ( 0.6A)
ASP  A 249 ( 0.6A)
ILE  A 268 ( 0.7A)
 1.25A 5lg3H-4g9kA:
undetectable		 5lg3H-4g9kA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LG3_I_Z80I401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 3bpo INTERLEUKIN 13
INTERLEUKIN-13
RECEPTOR ALPHA-1
CHAIN
(Homo
sapiens) 		4 / 9 ILE C  78
ASP A  87
TRP A  35
ILE A  90
 ILE  C  78 ( 0.7A)
ASP  A  87 ( 0.6A)
TRP  A  35 ( 0.5A)
ILE  A  90 ( 0.7A)
 1.05A 5lg3I-3bpoC:
2.5		 5lg3I-3bpoC:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LSU_B_SAMB1304_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
NSD2)		 3tvi ASPARTOKINASE
(Clostridium
acetobutylicum) 		5 / 12 GLY A 120
PHE A 170
TYR A 171
THR A  51
LEU A  54
 None
ASP  A 451 (-3.1A)
None
ASP  A 451 ( 3.9A)
None
 1.48A 5lsuB-3tviA:
undetectable		 5lsuB-3tviA:
19.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MWU_B_ACTB601_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		 3r9r PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE
(Mycobacteroides
abscessus) 		3 / 3 THR A 181
PRO A 138
ASP A 136
 THR  A 181 ( 0.8A)
PRO  A 138 ( 1.1A)
ASP  A 136 ( 0.6A)
 0.91A 5mwuB-3r9rA:
undetectable		 5mwuB-3r9rA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N5D_A_SAMA306_1
(METHYLTRANSFERASE)		 3eqz RESPONSE REGULATOR
(Colwellia
psychrerythraea) 		4 / 7 LEU A  41
SER A  72
ILE A  77
ASP A  47
 LEU  A  41 ( 0.6A)
SER  A  72 ( 0.0A)
ILE  A  77 ( 0.7A)
ASP  A  47 ( 0.6A)
 0.94A 5n5dA-3eqzA:
3.2		 5n5dA-3eqzA:
22.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N5D_B_SAMB303_1
(METHYLTRANSFERASE)		 2j0w LYSINE-SENSITIVE
ASPARTOKINASE 3
(Escherichia
coli) 		4 / 7 GLY A 199
SER A  39
ARG A 305
ASP A 202
 ASP  A 502 (-3.1A)
ASP  A 502 (-3.4A)
None
MG  A 900 (-3.9A)
 1.12A 5n5dB-2j0wA:
undetectable		 5n5dB-2j0wA:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ND7_B_TA1B601_1
(TUBULIN BETA-2B
CHAIN)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		5 / 12 VAL A 406
ASP A 357
HIS A 479
LEU A 482
LEU A 354
 VAL  A 406 ( 0.6A)
ASP  A 357 ( 0.6A)
HIS  A 479 ( 1.0A)
LEU  A 482 ( 0.6A)
LEU  A 354 ( 0.6A)
 1.14A 5nd7B-2nvvA:
undetectable		 5nd7B-2nvvA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ND7_B_TA1B601_2
(TUBULIN BETA-2B
CHAIN)		 1y79 PEPTIDYL-DIPEPTIDASE
DCP
(Escherichia
coli) 		3 / 3 THR 1 247
PRO 1 592
ARG 1 593
 None
None
ASP  1 704 (-3.9A)
 0.74A 5nd7B-1y791:
undetectable		 5nd7B-1y791:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NOO_A_D16A402_1
(THYMIDYLATE SYNTHASE)		 5me6 EUKARYOTIC
TRANSCRIPTION
INITIATION FACTOR 4E
(Cucumis
melo) 		4 / 7 ILE A 186
ASP A 168
GLY A 167
PHE A 164
 ILE  A 186 ( 0.7A)
ASP  A 168 ( 0.6A)
GLY  A 167 ( 0.0A)
PHE  A 164 ( 1.3A)
 0.87A 5nooA-5me6A:
undetectable		 5nooA-5me6A:
19.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NOO_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 5me6 EUKARYOTIC
TRANSCRIPTION
INITIATION FACTOR 4E
(Cucumis
melo) 		4 / 7 ILE A 186
ASP A 168
GLY A 167
PHE A 164
 ILE  A 186 ( 0.7A)
ASP  A 168 ( 0.6A)
GLY  A 167 ( 0.0A)
PHE  A 164 ( 1.3A)
 0.88A 5nooB-5me6A:
undetectable		 5nooB-5me6A:
19.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OEX_A_CUA601_0
(THIOCYANATE
DEHYDROGENASE)		 1ryn PROTEIN CRS2
(Zea
mays) 		3 / 3 HIS A  22
ASP A  94
HIS A 114
 HIS  A  22 ( 1.0A)
ASP  A  94 ( 0.6A)
HIS  A 114 ( 1.0A)
 0.62A 5oexA-1rynA:
undetectable		 5oexA-1rynA:
19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OEX_B_CUB601_0
(THIOCYANATE
DEHYDROGENASE)		 1ryn PROTEIN CRS2
(Zea
mays) 		3 / 3 HIS A  22
ASP A  94
HIS A 114
 HIS  A  22 ( 1.0A)
ASP  A  94 ( 0.6A)
HIS  A 114 ( 1.0A)
 0.65A 5oexB-1rynA:
undetectable		 5oexB-1rynA:
19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OEX_C_CUC601_0
(THIOCYANATE
DEHYDROGENASE)		 1ryn PROTEIN CRS2
(Zea
mays) 		3 / 3 HIS A  22
ASP A  94
HIS A 114
 HIS  A  22 ( 1.0A)
ASP  A  94 ( 0.6A)
HIS  A 114 ( 1.0A)
 0.64A 5oexC-1rynA:
undetectable		 5oexC-1rynA:
19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OEX_D_CUD601_0
(THIOCYANATE
DEHYDROGENASE)		 1ryn PROTEIN CRS2
(Zea
mays) 		3 / 3 HIS A  22
ASP A  94
HIS A 114
 HIS  A  22 ( 1.0A)
ASP  A  94 ( 0.6A)
HIS  A 114 ( 1.0A)
 0.65A 5oexD-1rynA:
undetectable		 5oexD-1rynA:
19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OV9_B_CVIB603_0
(ACETYLCHOLINESTERASE)		 1szb MANNOSE BINDING
LECTIN-ASSOCIATED
SERINE PROTEASE-2
RELATED PROTEIN,
MAP19 (19KDA)
(Homo
sapiens) 		4 / 7 TYR A  59
GLN A  77
ASP A  50
TYR A 106
 TYR  A  59 ( 1.3A)
GLN  A  77 ( 0.6A)
ASP  A  50 ( 0.6A)
TYR  A 106 ( 1.3A)
 1.37A 5ov9B-1szbA:
undetectable		 5ov9B-1szbA:
17.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OV9_B_CVIB603_0
(ACETYLCHOLINESTERASE)		 3qvi HISTO-ASPARTIC
PROTEASE
(Plasmodium
falciparum) 		4 / 7 TYR A 151
TYR A 313
ASP A 316
HIS A 318
 TYR  A 151 ( 1.3A)
TYR  A 313 ( 1.3A)
ASP  A 316 ( 0.6A)
HIS  A 318 ( 1.0A)
 1.48A 5ov9B-3qviA:
undetectable		 5ov9B-3qviA:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5T8S_B_SAMB402_0
(S-ADENOSYLMETHIONINE
SYNTHASE)		 4ikn AP-3 COMPLEX SUBUNIT
MU-1
(Rattus
norvegicus) 		4 / 8 GLU A 185
ASP A 188
ILE A 187
ILE A 272
 GLU  A 185 ( 0.6A)
ASP  A 188 ( 0.6A)
ILE  A 187 ( 0.6A)
ILE  A 272 ( 0.7A)
 0.87A 5t8sA-4iknA:
undetectable		 5t8sA-4iknA:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TIW_B_OAQB302_0
(SULFOTRANSFERASE)		 3i4k MUCONATE LACTONIZING
ENZYME
(Corynebacterium
glutamicum) 		5 / 12 PRO A 177
ILE A 199
ASP A 180
ILE A 240
THR A 244
 PRO  A 177 ( 1.1A)
ILE  A 199 ( 0.4A)
ASP  A 180 ( 0.5A)
ILE  A 240 ( 0.6A)
THR  A 244 ( 0.8A)
 1.27A 5tiwB-3i4kA:
undetectable		 5tiwB-3i4kA:
23.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UHB_C_RFPC1201_2
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		 1aoa T-FIMBRIN
(Homo
sapiens) 		3 / 3 PHE A 369
ASP A 357
LEU A 231
 PHE  A 369 ( 1.3A)
ASP  A 357 ( 0.6A)
LEU  A 231 ( 0.6A)
 0.77A 5uhbC-1aoaA:
0.0		 5uhbC-1aoaA:
13.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UHC_C_RFPC1201_2
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		 1aoa T-FIMBRIN
(Homo
sapiens) 		3 / 3 PHE A 369
ASP A 357
LEU A 231
 PHE  A 369 ( 1.3A)
ASP  A 357 ( 0.6A)
LEU  A 231 ( 0.6A)
 0.68A 5uhcC-1aoaA:
0.0		 5uhcC-1aoaA:
13.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UHD_C_RFPC1201_2
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		 5w0a GLUCANASE
(Trichoderma
harzianum) 		4 / 4 ARG A 271
PHE A 209
ASP A 198
LEU A 137
 ARG  A 271 ( 0.6A)
PHE  A 209 ( 1.3A)
ASP  A 198 (-0.6A)
LEU  A 137 ( 0.6A)
 1.45A 5uhdC-5w0aA:
0.3		 5uhdC-5w0aA:
4.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UXC_A_ZITA306_1
(PREDICTED
AMINOGLYCOSIDE
PHOSPHOTRANSFERASE)		 5jja SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
56 KDA REGULATORY
SUBUNIT GAMMA
ISOFORM
(Homo
sapiens) 		4 / 7 THR A 282
PHE A 274
ASP A 278
LEU A 239
 THR  A 282 ( 0.8A)
PHE  A 274 ( 1.3A)
ASP  A 278 ( 0.6A)
LEU  A 239 ( 0.6A)
 1.25A 5uxcA-5jjaA:
undetectable		 5uxcA-5jjaA:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V0V_A_8QPA613_1
(SERUM ALBUMIN)		 2zal L-ASPARAGINASE
(Escherichia
coli) 		4 / 8 LYS B 179
PHE B 236
THR B 197
GLY B 276
 None
None
ASP  B 501 ( 3.9A)
None
 0.96A 5v0vA-2zalB:
undetectable		 5v0vA-2zalB:
13.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V3C_A_AMHA402_1
(QUEUINE
TRNA-RIBOSYLTRANSFER
ASE)		 4r8l UNCHARACTERIZED
PROTEIN
(Cavia
porcellus) 		5 / 9 ASP A  84
GLY A  18
GLY A 115
ALA A 142
MET A  22
 ASP  A 700 (-3.0A)
ASP  A 700 ( 3.7A)
ASP  A 700 (-3.4A)
None
None
 1.30A 5v3cA-4r8lA:
undetectable		 5v3cA-4r8lA:
13.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VC0_A_RITA602_1
(CYTOCHROME P450 3A4)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		5 / 12 ASP A 614
LEU A 745
ILE A 642
ALA A 629
ILE A 603
 ASP  A 614 ( 0.6A)
LEU  A 745 ( 0.5A)
ILE  A 642 ( 0.6A)
ALA  A 629 ( 0.0A)
ILE  A 603 ( 0.6A)
 1.15A 5vc0A-4flxA:
undetectable		 5vc0A-4flxA:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VLM_A_CVIA301_1
(REGULATORY PROTEIN
TETR)		 3i4k MUCONATE LACTONIZING
ENZYME
(Corynebacterium
glutamicum) 		4 / 8 GLY A 310
ARG A 120
VAL A 112
ASP A 116
 GLY  A 310 ( 0.0A)
ARG  A 120 ( 0.6A)
VAL  A 112 ( 0.6A)
ASP  A 116 ( 0.6A)
 1.05A 5vlmA-3i4kA:
undetectable		 5vlmA-3i4kA:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VLM_C_CVIC301_1
(REGULATORY PROTEIN
TETR)		 2vbf BRANCHED-CHAIN
ALPHA-KETOACID
DECARBOXYLASE
(Lactococcus
lactis) 		4 / 7 GLN A 415
GLY A 413
ILE A 396
ASP A  57
 GLN  A 415 ( 0.6A)
GLY  A 413 ( 0.0A)
ILE  A 396 ( 0.7A)
ASP  A  57 ( 0.5A)
 1.16A 5vlmC-2vbfA:
undetectable		 5vlmC-2vbfA:
16.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VLM_G_CVIG301_0
(REGULATORY PROTEIN
TETR)		 5fdn PHOSPHOENOLPYRUVATE
CARBOXYLASE 3
(Arabidopsis
thaliana) 		5 / 12 GLN A 965
ALA A 962
GLU A 110
ILE A 674
VAL A 178
 ASP  A1001 (-3.7A)
None
None
None
None
 1.22A 5vlmG-5fdnA:
2.2		 5vlmG-5fdnA:
12.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VM8_B_SAMB301_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		 2hmf PROBABLE
ASPARTOKINASE
(Methanocaldococc
us
jannaschii) 		5 / 10 GLY A 206
GLY A 209
ILE A 158
THR A 204
ALA A 167
 None
ASP  A 502 (-4.2A)
None
None
None
 0.95A 5vm8B-2hmfA:
undetectable		 5vm8B-2hmfA:
19.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WK9_A_CAMA503_0
(CAMPHOR
5-MONOOXYGENASE)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 7 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 1.02A 5wk9A-5lmxC:
undetectable		 5wk9A-5lmxC:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WWS_B_SAMB501_0
(PUTATIVE
METHYLTRANSFERASE
NSUN6)		 1txu RAB5 GDP/GTP
EXCHANGE FACTOR
(Homo
sapiens) 		5 / 12 PRO A 329
ASP A 235
LYS A 234
ILE A 238
ASP A 230
 PRO  A 329 ( 1.1A)
ASP  A 235 ( 0.5A)
LYS  A 234 ( 0.0A)
ILE  A 238 ( 0.4A)
ASP  A 230 ( 0.6A)
 0.94A 5wwsB-1txuA:
undetectable		 5wwsB-1txuA:
18.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WYQ_A_SAMA401_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		 2j0w LYSINE-SENSITIVE
ASPARTOKINASE 3
(Escherichia
coli) 		5 / 12 PRO A 261
GLY A 197
GLY A 357
GLY A 199
GLY A 200
 None
None
None
ASP  A 502 (-3.1A)
ASP  A 502 (-4.2A)
 0.68A 5wyqA-2j0wA:
undetectable		 5wyqA-2j0wA:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X1B_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3gnr OS03G0212800 PROTEIN
(Oryza
sativa) 		4 / 6 HIS A 219
ASP A 304
THR A 302
HIS A 220
 HIS  A 219 ( 1.0A)
ASP  A 304 ( 0.6A)
THR  A 302 ( 0.8A)
HIS  A 220 ( 1.0A)
 1.46A 5x1bN-3gnrA:
undetectable
5x1bP-3gnrA:
undetectable		 5x1bN-3gnrA:
21.63
5x1bP-3gnrA:
19.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X23_A_LSNA502_2
(CYTOCHROME P450 2C9)		 4dlk PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE, ATPASE
SUBUNIT
(Bacillus
anthracis) 		3 / 3 LEU A 133
VAL A 167
ASP A 168
 LEU  A 133 ( 0.6A)
VAL  A 167 ( 0.6A)
ASP  A 168 ( 0.6A)
 0.64A 5x23A-4dlkA:
undetectable		 5x23A-4dlkA:
22.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X66_A_MTXA402_1
(THYMIDYLATE SYNTHASE)		 2vbf BRANCHED-CHAIN
ALPHA-KETOACID
DECARBOXYLASE
(Lactococcus
lactis) 		5 / 12 LEU A  69
GLY A  22
PHE A  21
ASN A  46
ASP A  40
 LEU  A  69 ( 0.5A)
GLY  A  22 ( 0.0A)
PHE  A  21 ( 1.3A)
ASN  A  46 ( 0.6A)
ASP  A  40 ( 0.6A)
 1.13A 5x66A-2vbfA:
undetectable
5x66B-2vbfA:
undetectable		 5x66A-2vbfA:
19.89
5x66B-2vbfA:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X7P_A_ACRA1421_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 2him L-ASPARAGINASE 1
(Escherichia
coli) 		4 / 5 TYR A  10
TYR A  54
GLY A  12
GLY A  13
 None
None
None
ASP  A7001 ( 3.5A)
 0.91A 5x7pA-2himA:
3.1		 5x7pA-2himA:
15.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X7P_B_ACRB1421_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 2him L-ASPARAGINASE 1
(Escherichia
coli) 		4 / 6 TYR A  10
TYR A  54
GLY A  12
GLY A  13
 None
None
None
ASP  A7001 ( 3.5A)
 0.92A 5x7pB-2himA:
2.9		 5x7pB-2himA:
15.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XV7_A_EMHA705_2
(SERINE-ARGININE (SR)
PROTEIN KINASE 1)		 5d7w SERRALYSIN
(Serratia
marcescens) 		4 / 4 VAL A 357
LEU A 358
LEU A 349
ASP A 365
 VAL  A 357 ( 0.6A)
LEU  A 358 ( 0.5A)
LEU  A 349 ( 0.6A)
ASP  A 365 ( 0.5A)
 1.05A 5xv7A-5d7wA:
undetectable		 5xv7A-5d7wA:
10.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YN6_A_SAMA401_0
(NSP16 PROTEIN)		 3r9r PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE
(Mycobacteroides
abscessus) 		5 / 12 GLY A 202
GLY A 207
ASP A 213
ASP A  94
MET A  95
 GLY  A 202 ( 0.0A)
GLY  A 207 ( 0.0A)
ASP  A 213 ( 0.6A)
ASP  A  94 ( 0.6A)
MET  A  95 ( 0.0A)
 1.36A 5yn6A-3r9rA:
undetectable		 5yn6A-3r9rA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YOD_H_BEZH201_0
(NS3 PROTEASE)		 5w25 ASPARTATE--TRNA(ASP/
ASN) LIGASE
(Mycobacterium
tuberculosis) 		4 / 5 HIS A 452
SER A 490
TYR A 477
GLY A 489
 ASP  A 701 (-3.9A)
ASP  A 701 ( 4.6A)
None
ASP  A 701 ( 4.0A)
 0.95A 5yodH-5w25A:
undetectable		 5yodH-5w25A:
15.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z0F_B_DAHB98_0
(MELC
TYROSINASE)		 3ulk KETOL-ACID
REDUCTOISOMERASE
(Escherichia
coli) 		5 / 11 ASN A 181
HIS A 178
VAL A 177
ASP A 182
PRO A 183
 ASN  A 181 ( 0.6A)
HIS  A 178 ( 1.0A)
VAL  A 177 ( 0.6A)
ASP  A 182 ( 0.6A)
PRO  A 183 ( 1.1A)
 1.04A 5z0fA-3ulkA:
undetectable
5z0fB-3ulkA:
undetectable		 5z0fA-3ulkA:
10.71
5z0fB-3ulkA:
10.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z0G_B_DAHB98_0
(MELC
TYROSINASE)		 3ulk KETOL-ACID
REDUCTOISOMERASE
(Escherichia
coli) 		5 / 11 ASN A 181
HIS A 178
VAL A 177
ASP A 182
PRO A 183
 ASN  A 181 ( 0.6A)
HIS  A 178 ( 1.0A)
VAL  A 177 ( 0.6A)
ASP  A 182 ( 0.6A)
PRO  A 183 ( 1.1A)
 0.97A 5z0gA-3ulkA:
undetectable
5z0gB-3ulkA:
undetectable		 5z0gA-3ulkA:
10.71
5z0gB-3ulkA:
10.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z0H_B_DAHB98_0
(MELC
TYROSINASE)		 3ulk KETOL-ACID
REDUCTOISOMERASE
(Escherichia
coli) 		5 / 11 ASN A 181
HIS A 178
VAL A 177
ASP A 182
PRO A 183
 ASN  A 181 ( 0.6A)
HIS  A 178 ( 1.0A)
VAL  A 177 ( 0.6A)
ASP  A 182 ( 0.6A)
PRO  A 183 ( 1.1A)
 0.95A 5z0hA-3ulkA:
undetectable
5z0hB-3ulkA:
undetectable		 5z0hA-3ulkA:
10.71
5z0hB-3ulkA:
10.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z0I_B_DAHB98_0
(MELC
TYROSINASE)		 3ulk KETOL-ACID
REDUCTOISOMERASE
(Escherichia
coli) 		5 / 11 ASN A 181
HIS A 178
VAL A 177
ASP A 182
PRO A 183
 ASN  A 181 ( 0.6A)
HIS  A 178 ( 1.0A)
VAL  A 177 ( 0.6A)
ASP  A 182 ( 0.6A)
PRO  A 183 ( 1.1A)
 0.97A 5z0iA-3ulkA:
undetectable
5z0iB-3ulkA:
undetectable		 5z0iA-3ulkA:
10.71
5z0iB-3ulkA:
10.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z0J_B_DAHB98_0
(MELC
TYROSINASE)		 3ulk KETOL-ACID
REDUCTOISOMERASE
(Escherichia
coli) 		5 / 11 ASN A 181
HIS A 178
VAL A 177
ASP A 182
PRO A 183
 ASN  A 181 ( 0.6A)
HIS  A 178 ( 1.0A)
VAL  A 177 ( 0.6A)
ASP  A 182 ( 0.6A)
PRO  A 183 ( 1.1A)
 0.97A 5z0jA-3ulkA:
undetectable
5z0jB-3ulkA:
undetectable		 5z0jA-3ulkA:
10.71
5z0jB-3ulkA:
10.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z0K_B_DAHB98_0
(MELC
TYROSINASE)		 3ulk KETOL-ACID
REDUCTOISOMERASE
(Escherichia
coli) 		5 / 11 ASN A 181
HIS A 178
VAL A 177
ASP A 182
PRO A 183
 ASN  A 181 ( 0.6A)
HIS  A 178 ( 1.0A)
VAL  A 177 ( 0.6A)
ASP  A 182 ( 0.6A)
PRO  A 183 ( 1.1A)
 0.97A 5z0kA-3ulkA:
undetectable
5z0kB-3ulkA:
undetectable		 5z0kA-3ulkA:
10.71
5z0kB-3ulkA:
10.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z0L_B_DAHB98_0
(MELC
TYROSINASE)		 3ulk KETOL-ACID
REDUCTOISOMERASE
(Escherichia
coli) 		5 / 11 ASN A 181
HIS A 178
VAL A 177
ASP A 182
PRO A 183
 ASN  A 181 ( 0.6A)
HIS  A 178 ( 1.0A)
VAL  A 177 ( 0.6A)
ASP  A 182 ( 0.6A)
PRO  A 183 ( 1.1A)
 0.96A 5z0lA-3ulkA:
undetectable
5z0lB-3ulkA:
undetectable		 5z0lA-3ulkA:
10.71
5z0lB-3ulkA:
10.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z0M_B_DAHB98_0
(MELC
TYROSINASE)		 3ulk KETOL-ACID
REDUCTOISOMERASE
(Escherichia
coli) 		5 / 11 ASN A 181
HIS A 178
VAL A 177
ASP A 182
PRO A 183
 ASN  A 181 ( 0.6A)
HIS  A 178 ( 1.0A)
VAL  A 177 ( 0.6A)
ASP  A 182 ( 0.6A)
PRO  A 183 ( 1.1A)
 0.97A 5z0mA-3ulkA:
undetectable
5z0mB-3ulkA:
undetectable		 5z0mA-3ulkA:
10.71
5z0mB-3ulkA:
10.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z6M_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2qvs CAMP-DEPENDENT
PROTEIN KINASE TYPE
II-ALPHA REGULATORY
SUBUNIT
(Mus
musculus) 		5 / 11 ASP B 229
LEU B 228
PHE B 233
LEU B 139
ILE B 237
 ASP  B 229 ( 0.5A)
LEU  B 228 ( 0.6A)
PHE  B 233 ( 1.3A)
LEU  B 139 ( 0.6A)
ILE  B 237 ( 0.6A)
 1.07A 5z6mA-2qvsB:
undetectable		 5z6mA-2qvsB:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZBD_A_TRPA501_0
(FLAVIN-DEPENDENT
L-TRYPTOPHAN OXIDASE
VIOA)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		5 / 10 TYR A 335
LEU A 173
ASP A 172
VAL A 142
GLY A 143
 TYR  A 335 ( 1.3A)
LEU  A 173 ( 0.6A)
ASP  A 172 ( 0.6A)
VAL  A 142 ( 0.6A)
GLY  A 143 ( 0.0A)
 1.47A 5zbdA-2nvvA:
0.0		 5zbdA-2nvvA:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZBD_B_TRPB501_0
(FLAVIN-DEPENDENT
L-TRYPTOPHAN OXIDASE
VIOA)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		5 / 10 TYR A 335
LEU A 173
ASP A 172
VAL A 142
GLY A 143
 TYR  A 335 ( 1.3A)
LEU  A 173 ( 0.6A)
ASP  A 172 ( 0.6A)
VAL  A 142 ( 0.6A)
GLY  A 143 ( 0.0A)
 1.43A 5zbdB-2nvvA:
0.0		 5zbdB-2nvvA:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZHM_B_SAMB301_1
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		 2j0w LYSINE-SENSITIVE
ASPARTOKINASE 3
(Escherichia
coli) 		5 / 12 PRO A 261
GLY A 197
GLY A 357
GLY A 199
GLY A 200
 None
None
None
ASP  A 502 (-3.1A)
ASP  A 502 (-4.2A)
 0.68A 5zhmB-2j0wA:
undetectable		 5zhmB-2j0wA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZV2_A_LEVA801_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1)		 3sag EXOSOME COMPONENT 10
(Homo
sapiens) 		3 / 3 LYS A 480
LEU A 216
ASP A 252
 LYS  A 480 ( 0.0A)
LEU  A 216 ( 0.6A)
ASP  A 252 ( 0.6A)
 0.84A 5zv2A-3sagA:
undetectable		 5zv2A-3sagA:
12.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AWO_A_SREA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		 3wvn NON-RIBOSOMAL
PEPTIDE SYNTHETASE
(Streptomyces
halstedii) 		5 / 9 ALA A 205
ILE A 209
PHE A 231
GLY A 232
SER A 239
 None
None
ASP  A 601 ( 4.8A)
None
None
 1.24A 6awoA-3wvnA:
undetectable		 6awoA-3wvnA:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AWQ_A_SREA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		 3wvn NON-RIBOSOMAL
PEPTIDE SYNTHETASE
(Streptomyces
halstedii) 		5 / 9 ALA A 205
ILE A 209
PHE A 231
GLY A 232
SER A 239
 None
None
ASP  A 601 ( 4.8A)
None
None
 1.24A 6awqA-3wvnA:
undetectable		 6awqA-3wvnA:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AWT_D_BEZD202_0
(PR 10 PROTEIN)		 4ov1 PUTATIVE FERREDOXIN
(Rhodopseudomonas
palustris) 		3 / 3 PHE A  28
ASP A  29
LYS A  39
 PHE  A  28 ( 1.3A)
ASP  A  29 ( 0.6A)
LYS  A  39 ( 0.0A)
 0.75A 6awtD-4ov1A:
undetectable		 6awtD-4ov1A:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B0L_B_TA1B502_1
(TUBULIN BETA CHAIN)		 4mwt LYSOSOMAL PROTECTIVE
PROTEIN
(Homo
sapiens) 		5 / 12 VAL A 121
ASP A 118
LEU A 129
SER A 100
GLY A 153
 VAL  A 121 ( 0.6A)
ASP  A 118 ( 0.6A)
LEU  A 129 ( 0.6A)
SER  A 100 ( 0.0A)
GLY  A 153 ( 0.0A)
 1.14A 6b0lB-4mwtA:
undetectable		 6b0lB-4mwtA:
12.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B3A_A_SAMA701_0
(APRA
METHYLTRANSFERASE 1)		 5w0a GLUCANASE
(Trichoderma
harzianum) 		5 / 12 GLY A 163
ASN A 153
ALA A 156
ASP A 115
LEU A 112
 GLY  A 163 ( 0.0A)
ASN  A 153 ( 0.6A)
ALA  A 156 (-0.0A)
ASP  A 115 ( 0.5A)
LEU  A 112 ( 0.6A)
 0.96A 6b3aA-5w0aA:
undetectable		 6b3aA-5w0aA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B3B_A_SAMA701_0
(APRA
METHYLTRANSFERASE 1)		 5w0a GLUCANASE
(Trichoderma
harzianum) 		5 / 12 GLY A 163
ASN A 153
ALA A 156
ASP A 115
LEU A 112
 GLY  A 163 ( 0.0A)
ASN  A 153 ( 0.6A)
ALA  A 156 (-0.0A)
ASP  A 115 ( 0.5A)
LEU  A 112 ( 0.6A)
 0.95A 6b3bA-5w0aA:
undetectable		 6b3bA-5w0aA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B5Y_A_9F2A302_1
(BETA-LACTAMASE)		 1woj 2',3'-CYCLIC-NUCLEOT
IDE
3'-PHOSPHODIESTERASE
(Homo
sapiens) 		5 / 9 PRO A 167
TYR A 169
THR A 233
THR A 234
ASP A 252
 PRO  A 167 ( 1.1A)
TYR  A 169 ( 1.3A)
THR  A 233 (-0.9A)
THR  A 234 ( 0.9A)
ASP  A 252 ( 0.6A)
 1.36A 6b5yA-1wojA:
0.0
6b5yB-1wojA:
undetectable		 6b5yA-1wojA:
18.18
6b5yB-1wojA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B68_A_9F2A302_1
(BETA-LACTAMASE)		 1woj 2',3'-CYCLIC-NUCLEOT
IDE
3'-PHOSPHODIESTERASE
(Homo
sapiens) 		5 / 9 PRO A 167
TYR A 169
THR A 233
THR A 234
ASP A 252
 PRO  A 167 ( 1.1A)
TYR  A 169 ( 1.3A)
THR  A 233 (-0.9A)
THR  A 234 ( 0.9A)
ASP  A 252 ( 0.6A)
 1.36A 6b68A-1wojA:
0.0
6b68B-1wojA:
0.0		 6b68A-1wojA:
18.18
6b68B-1wojA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B68_C_9F2C302_1
(BETA-LACTAMASE)		 1woj 2',3'-CYCLIC-NUCLEOT
IDE
3'-PHOSPHODIESTERASE
(Homo
sapiens) 		5 / 10 PRO A 167
TYR A 169
THR A 233
THR A 234
ASP A 252
 PRO  A 167 ( 1.1A)
TYR  A 169 ( 1.3A)
THR  A 233 (-0.9A)
THR  A 234 ( 0.9A)
ASP  A 252 ( 0.6A)
 1.35A 6b68C-1wojA:
0.0
6b68D-1wojA:
0.0		 6b68C-1wojA:
18.18
6b68D-1wojA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B69_A_9F2A302_1
(BETA-LACTAMASE)		 1woj 2',3'-CYCLIC-NUCLEOT
IDE
3'-PHOSPHODIESTERASE
(Homo
sapiens) 		5 / 9 PRO A 167
TYR A 169
THR A 233
THR A 234
ASP A 252
 PRO  A 167 ( 1.1A)
TYR  A 169 ( 1.3A)
THR  A 233 (-0.9A)
THR  A 234 ( 0.9A)
ASP  A 252 ( 0.6A)
 1.33A 6b69A-1wojA:
0.0
6b69B-1wojA:
0.0		 6b69A-1wojA:
18.18
6b69B-1wojA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B69_C_9F2C302_1
(BETA-LACTAMASE)		 1woj 2',3'-CYCLIC-NUCLEOT
IDE
3'-PHOSPHODIESTERASE
(Homo
sapiens) 		5 / 9 PRO A 167
TYR A 169
THR A 233
THR A 234
ASP A 252
 PRO  A 167 ( 1.1A)
TYR  A 169 ( 1.3A)
THR  A 233 (-0.9A)
THR  A 234 ( 0.9A)
ASP  A 252 ( 0.6A)
 1.36A 6b69C-1wojA:
0.0
6b69D-1wojA:
0.0		 6b69C-1wojA:
18.18
6b69D-1wojA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6A_C_9F2C302_1
(BETA-LACTAMASE)		 1woj 2',3'-CYCLIC-NUCLEOT
IDE
3'-PHOSPHODIESTERASE
(Homo
sapiens) 		5 / 9 PRO A 167
TYR A 169
THR A 233
THR A 234
ASP A 252
 PRO  A 167 ( 1.1A)
TYR  A 169 ( 1.3A)
THR  A 233 (-0.9A)
THR  A 234 ( 0.9A)
ASP  A 252 ( 0.6A)
 1.38A 6b6aC-1wojA:
0.0
6b6aD-1wojA:
undetectable		 6b6aC-1wojA:
18.18
6b6aD-1wojA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BER_A_DVAA2_0
(E(DVA)DP(DGL)(DHI)(D
PR)N(DAL)(DPR))		 3wd7 TYPE III POLYKETIDE
SYNTHASES ACRIDONE
SYNTHASE
(Citrus
x
microcarpa) 		3 / 3 GLU A 179
ASP A 227
PRO A 228
 GLU  A 179 ( 0.6A)
ASP  A 227 ( 0.6A)
PRO  A 228 ( 1.1A)
 0.31A 6berA-3wd7A:
undetectable		 6berA-3wd7A:
3.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BER_A_DVAA2_0
(E(DVA)DP(DGL)(DHI)(D
PR)N(DAL)(DPR))		 3whl PROTEASOME-ACTIVATIN
G NUCLEOTIDASE, 26S
PROTEASE REGULATORY
SUBUNIT 6A
(Pyrococcus
furiosus;
Saccharomyces
cerevisiae) 		3 / 3 GLU A 208
ASP A 213
PRO A 214
 GLU  A 208 ( 0.6A)
ASP  A 213 ( 0.6A)
PRO  A 214 ( 1.1A)
 0.50A 6berA-3whlA:
undetectable		 6berA-3whlA:
6.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BM5_A_SAMA1301_0
(METHIONINE SYNTHASE)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		5 / 11 ASP A 178
PRO A 176
ARG A 182
PRO A  82
TYR A 117
 ASP  A 178 ( 0.6A)
PRO  A 176 ( 1.1A)
ARG  A 182 ( 0.6A)
PRO  A  82 ( 1.1A)
TYR  A 117 ( 1.3A)
 1.27A 6bm5A-2nvvA:
undetectable		 6bm5A-2nvvA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BNI_B_ADNB602_1
(LYSINE--TRNA LIGASE)		 5w25 ASPARTATE--TRNA(ASP/
ASN) LIGASE
(Mycobacterium
tuberculosis) 		5 / 10 ARG A 219
GLU A 221
PHE A 231
GLY A 537
ILE A 551
 ASP  A 701 (-3.2A)
None
None
None
None
 0.90A 6bniB-5w25A:
28.8		 6bniB-5w25A:
8.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C2M_A_SUEA1202_1
(NS3 PROTEASE)		 1fgv H52 FV (HEAVY CHAIN)
(Homo
sapiens) 		5 / 9 ARG H  38
ALA H  88
VAL H 122
SER H 123
ASP H  90
 ARG  H  38 ( 0.7A)
ALA  H  88 ( 0.0A)
VAL  H 122 ( 0.6A)
SER  H 123 ( 0.0A)
ASP  H  90 ( 0.6A)
 1.43A 6c2mA-1fgvH:
undetectable		 6c2mA-1fgvH:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C2M_A_SUEA1202_1
(NS3 PROTEASE)		 3p9w HUMAN VEGF
(Homo
sapiens) 		5 / 9 ARG B  38
ALA B  84
VAL B 111
SER B 112
ASP B  86
 ARG  B  38 ( 0.6A)
ALA  B  84 ( 0.0A)
VAL  B 111 ( 0.6A)
SER  B 112 ( 0.0A)
ASP  B  86 ( 0.5A)
 1.47A 6c2mA-3p9wB:
undetectable		 6c2mA-3p9wB:
23.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C2M_B_SUEB1202_0
(NS3 PROTEASE)		 4o48 UNCHARACTERIZED
PROTEIN
(Cavia
porcellus) 		5 / 12 GLY A 222
VAL A 190
ILE A 267
GLY A 206
SER A 200
 ASP  A 402 (-3.3A)
None
None
None
ASP  A 402 ( 4.2A)
 1.16A 6c2mB-4o48A:
undetectable		 6c2mB-4o48A:
13.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C2M_C_SUEC1203_0
(NS3 PROTEASE)		 5jxf ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE
(Flavobacterium
psychrophilum) 		5 / 12 HIS A  83
ASP A 219
GLY A 642
SER A 644
VAL A 663
 ARG  A 801 (-3.6A)
None
ASP  A 802 (-3.8A)
ASP  A 802 (-2.5A)
None
 0.89A 6c2mC-5jxfA:
6.1		 6c2mC-5jxfA:
7.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)		 2hk0 D-PSICOSE
3-EPIMERASE
(Agrobacterium
tumefaciens) 		4 / 7 ASP A 275
ASN A 278
ALA A 279
GLU A 212
 ASP  A 275 ( 0.6A)
ASN  A 278 ( 0.6A)
ALA  A 279 ( 0.0A)
GLU  A 212 ( 0.6A)
 0.84A 6ci6A-2hk0A:
undetectable		 6ci6A-2hk0A:
11.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CP4_A_CAMA422_0
(CYTOCHROME P450CAM)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 8 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 0.97A 6cp4A-5lmxC:
undetectable		 6cp4A-5lmxC:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DH0_A_017A101_1
(PROTEASE)		 1wqa PHOSPHO-SUGAR MUTASE
(Pyrococcus
horikoshii) 		5 / 12 GLY A 198
ASP A 166
ILE A 158
VAL A 346
VAL A 350
 GLY  A 198 ( 0.0A)
ASP  A 166 ( 0.6A)
ILE  A 158 ( 0.7A)
VAL  A 346 ( 0.6A)
VAL  A 350 ( 0.6A)
 0.88A 6dh0B-1wqaA:
undetectable		 6dh0B-1wqaA:
13.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DIF_B_TPVB201_0
(HIV-1 PROTEASE)		 2vbf BRANCHED-CHAIN
ALPHA-KETOACID
DECARBOXYLASE
(Lactococcus
lactis) 		5 / 12 LEU A 295
ALA A 273
ASP A 274
ILE A 236
ILE A 276
 LEU  A 295 ( 0.6A)
ALA  A 273 ( 0.0A)
ASP  A 274 ( 0.6A)
ILE  A 236 ( 0.6A)
ILE  A 276 ( 0.6A)
 1.03A 6difA-2vbfA:
undetectable		 6difA-2vbfA:
10.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DIL_B_TPVB201_0
(HIV-1 PROTEASE)		 2wlt L-ASPARAGINASE
(Helicobacter
pylori) 		5 / 12 LEU A  73
ASP A  64
GLY A  15
ILE A  17
VAL A  57
 None
None
ASP  A1333 (-3.2A)
None
None
 0.85A 6dilA-2wltA:
undetectable		 6dilA-2wltA:
15.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DJZ_B_GMJB301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 2rci TYPE-2BA CYTOLYTIC
DELTA-ENDOTOXIN
(Bacillus
thuringiensis) 		4 / 6 TYR A  48
ASP A 179
VAL A 125
GLU A 178
 TYR  A  48 ( 1.3A)
ASP  A 179 ( 0.6A)
VAL  A 125 ( 0.5A)
GLU  A 178 ( 0.5A)
 1.25A 6djzB-2rciA:
undetectable		 6djzB-2rciA:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DM0_B_CYZB1302_0
(GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT)		 4yzr POLYKETIDE
BIOSYNTHESIS
CYTOCHROME P450 PKSS
(Bacillus
subtilis) 		5 / 10 LEU A 149
LEU A 130
ASP A 131
ILE A 122
GLY A 120
 LEU  A 149 ( 0.5A)
LEU  A 130 ( 0.6A)
ASP  A 131 ( 0.6A)
ILE  A 122 ( 0.7A)
GLY  A 120 ( 0.0A)
 0.94A 6dm0B-4yzrA:
undetectable
6dm0C-4yzrA:
undetectable		 6dm0B-4yzrA:
14.24
6dm0C-4yzrA:
14.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWJ_B_GLYB710_0
(DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1)		 1v0f ENDO-ALPHA-SIALIDASE
(Enterobacteria
phage
K1F) 		4 / 5 ARG A 784
GLY A 782
ASN A 781
ASP A 779
 ARG  A 784 ( 0.6A)
GLY  A 782 ( 0.0A)
ASN  A 781 ( 0.6A)
ASP  A 779 ( 0.6A)
 1.38A 6dwjB-1v0fA:
undetectable
6dwjD-1v0fA:
undetectable		 6dwjB-1v0fA:
21.34
6dwjD-1v0fA:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6E8Q_A_X2NA602_0
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 2f5x BUGD
(Bordetella
pertussis) 		5 / 12 GLY A  94
PHE A  13
GLY A  47
THR A  49
MET A  68
 None
ASP  A 901 (-3.4A)
None
None
None
 1.22A 6e8qA-2f5xA:
undetectable		 6e8qA-2f5xA:
13.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EBP_A_DAHA123_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE,
BETA SUBUNIT)		 4kqn D-HYDANTOINASE
(Bacillus
sp.
AR9) 		5 / 9 ASP A 390
SER A  88
GLY A  54
ILE A  55
ILE A 453
 ASP  A 390 ( 0.6A)
SER  A  88 ( 0.0A)
GLY  A  54 ( 0.0A)
ILE  A  55 ( 0.6A)
ILE  A 453 ( 0.8A)
 1.25A 6ebpA-4kqnA:
undetectable		 6ebpA-4kqnA:
9.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EBP_B_DAHB123_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE,
BETA SUBUNIT)		 4kqn D-HYDANTOINASE
(Bacillus
sp.
AR9) 		5 / 10 ASP A 390
SER A  88
GLY A  54
ILE A  55
ILE A 453
 ASP  A 390 ( 0.6A)
SER  A  88 ( 0.0A)
GLY  A  54 ( 0.0A)
ILE  A  55 ( 0.6A)
ILE  A 453 ( 0.8A)
 1.26A 6ebpB-4kqnA:
undetectable		 6ebpB-4kqnA:
9.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6FBN_B_SAMB401_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 4ikn AP-3 COMPLEX SUBUNIT
MU-1
(Rattus
norvegicus) 		4 / 7 GLU A 185
ASP A 188
ILE A 187
ILE A 272
 GLU  A 185 ( 0.6A)
ASP  A 188 ( 0.6A)
ILE  A 187 ( 0.6A)
ILE  A 272 ( 0.7A)
 0.84A 6fbnA-4iknA:
undetectable		 6fbnA-4iknA:
23.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6FBV_D_FI8D1904_1
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA')		 1c8x ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE H
(Streptomyces
plicatus) 		4 / 8 ASP A 189
LYS A 187
VAL A  90
GLN A 106
 ASP  A 189 ( 0.6A)
LYS  A 187 ( 0.0A)
VAL  A  90 ( 0.6A)
GLN  A 106 ( 0.6A)
 1.24A 6fbvD-1c8xA:
0.0		 6fbvD-1c8xA:
12.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6G1P_A_ACTA403_0
(ADP-RIBOSYLHYDROLASE
LIKE 2)		 1gc7 RADIXIN
(Mus
musculus) 		3 / 3 TYR A 201
ASP A 197
GLN A 196
 TYR  A 201 ( 1.3A)
ASP  A 197 ( 0.6A)
GLN  A 196 ( 0.6A)
 0.61A 6g1pA-1gc7A:
0.0		 6g1pA-1gc7A:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GIQ_I_PCFI101_0
(CYTOCHROME B-C1
COMPLEX SUBUNIT 1,
MITOCHONDRIAL
CYTOCHROME B-C1
COMPLEX SUBUNIT 9
CYTOCHROME B-C1
COMPLEX SUBUNIT
RIESKE,
MITOCHONDRIAL)		 5w6l RTX
REPEAT-CONTAINING
CYTOTOXIN
(Vibrio
vulnificus) 		5 / 9 ASP A3935
SER A3934
GLY A3847
SER A3851
ILE A3848
 ASP  A3935 ( 0.6A)
SER  A3934 ( 0.0A)
GLY  A3847 ( 0.0A)
SER  A3851 ( 0.0A)
ILE  A3848 ( 0.7A)
 1.38A 6giqA-5w6lA:
1.0
6giqE-5w6lA:
undetectable
6giqI-5w6lA:
undetectable		 6giqA-5w6lA:
undetectable
6giqE-5w6lA:
undetectable
6giqI-5w6lA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HIS_A_TKTA508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		 3pu5 EXTRACELLULAR
SOLUTE-BINDING
PROTEIN
(Bordetella
parapertussis) 		4 / 8 ASP A 249
ILE A 246
ARG A 320
ASN A 223
 ASP  A 249 ( 0.6A)
ILE  A 246 ( 0.7A)
ARG  A 320 ( 0.6A)
ASN  A 223 ( 0.6A)
 1.24A 6hisA-3pu5A:
undetectable
6hisB-3pu5A:
undetectable		 6hisA-3pu5A:
13.65
6hisB-3pu5A:
13.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HIS_B_TKTB508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		 1v0f ENDO-ALPHA-SIALIDASE
(Enterobacteria
phage
K1F) 		4 / 8 ASP A 420
ARG A 398
ARG A 513
ASN A 534
 ASP  A 420 ( 0.6A)
ARG  A 398 ( 0.6A)
ARG  A 513 ( 0.6A)
ASN  A 534 ( 0.6A)
 1.03A 6hisB-1v0fA:
undetectable
6hisC-1v0fA:
undetectable		 6hisB-1v0fA:
8.39
6hisC-1v0fA:
8.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HIS_B_TKTB508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		 3pu5 EXTRACELLULAR
SOLUTE-BINDING
PROTEIN
(Bordetella
parapertussis) 		4 / 8 ASP A 249
ILE A 246
ARG A 320
ASN A 223
 ASP  A 249 ( 0.6A)
ILE  A 246 ( 0.7A)
ARG  A 320 ( 0.6A)
ASN  A 223 ( 0.6A)
 1.23A 6hisB-3pu5A:
undetectable
6hisC-3pu5A:
undetectable		 6hisB-3pu5A:
13.65
6hisC-3pu5A:
13.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HIS_C_TKTC508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		 1v0f ENDO-ALPHA-SIALIDASE
(Enterobacteria
phage
K1F) 		4 / 8 ASP A 420
ARG A 398
ARG A 513
ASN A 534
 ASP  A 420 ( 0.6A)
ARG  A 398 ( 0.6A)
ARG  A 513 ( 0.6A)
ASN  A 534 ( 0.6A)
 1.01A 6hisC-1v0fA:
undetectable
6hisD-1v0fA:
undetectable		 6hisC-1v0fA:
8.39
6hisD-1v0fA:
8.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HIS_C_TKTC508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		 3pu5 EXTRACELLULAR
SOLUTE-BINDING
PROTEIN
(Bordetella
parapertussis) 		4 / 8 ASP A 249
ILE A 246
ARG A 320
ASN A 223
 ASP  A 249 ( 0.6A)
ILE  A 246 ( 0.7A)
ARG  A 320 ( 0.6A)
ASN  A 223 ( 0.6A)
 1.23A 6hisC-3pu5A:
undetectable
6hisD-3pu5A:
undetectable		 6hisC-3pu5A:
13.65
6hisD-3pu5A:
13.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HIS_D_TKTD501_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		 3pu5 EXTRACELLULAR
SOLUTE-BINDING
PROTEIN
(Bordetella
parapertussis) 		4 / 8 ASP A 249
ILE A 246
ARG A 320
ASN A 223
 ASP  A 249 ( 0.6A)
ILE  A 246 ( 0.7A)
ARG  A 320 ( 0.6A)
ASN  A 223 ( 0.6A)
 1.23A 6hisD-3pu5A:
undetectable
6hisE-3pu5A:
undetectable		 6hisD-3pu5A:
13.65
6hisE-3pu5A:
13.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HIS_E_TKTE501_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		 1v0f ENDO-ALPHA-SIALIDASE
(Enterobacteria
phage
K1F) 		4 / 8 ASN A 534
ASP A 420
ARG A 398
ARG A 513
 ASN  A 534 ( 0.6A)
ASP  A 420 ( 0.6A)
ARG  A 398 ( 0.6A)
ARG  A 513 ( 0.6A)
 1.01A 6hisA-1v0fA:
undetectable
6hisE-1v0fA:
undetectable		 6hisA-1v0fA:
8.39
6hisE-1v0fA:
8.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HIS_E_TKTE501_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		 3pu5 EXTRACELLULAR
SOLUTE-BINDING
PROTEIN
(Bordetella
parapertussis) 		4 / 8 ASN A 223
ASP A 249
ILE A 246
ARG A 320
 ASN  A 223 ( 0.6A)
ASP  A 249 ( 0.6A)
ILE  A 246 ( 0.7A)
ARG  A 320 ( 0.6A)
 1.23A 6hisA-3pu5A:
undetectable
6hisE-3pu5A:
undetectable		 6hisA-3pu5A:
13.65
6hisE-3pu5A:
13.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6I0Y_A_TRPA3001_0
(23S RIBOSOMAL RNA
TRYPTOPHANASE OPERON
LEADER PEPTIDE)		 3sag EXOSOME COMPONENT 10
(Homo
sapiens) 		3 / 3 TRP A 374
ILE A 372
ASP A 371
 TRP  A 374 ( 0.5A)
ILE  A 372 ( 0.7A)
ASP  A 371 ( 0.5A)
 0.77A 6i0y7-3sagA:
undetectable		 6i0y7-3sagA:
6.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6IEY_A_CLMA401_0
(ESTERASE)		 4r8l UNCHARACTERIZED
PROTEIN
(Cavia
porcellus) 		5 / 11 LEU A 139
HIS A 114
GLY A 115
PHE A 197
ALA A 196
 None
None
ASP  A 700 (-3.4A)
None
None
 1.15A 6ieyA-4r8lA:
undetectable
6ieyB-4r8lA:
undetectable		 6ieyA-4r8lA:
20.96
6ieyB-4r8lA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6IEY_A_CLMA401_0
(ESTERASE)		 5b5u L-ASPARAGINASE
(Pyrococcus
furiosus) 		5 / 11 ASP A  84
HIS A  81
GLY A  82
PHE A 163
ALA A 162
 ASP  A 201 (-3.4A)
None
ASP  A 201 (-3.1A)
None
None
 1.32A 6ieyA-5b5uA:
3.7
6ieyB-5b5uA:
3.8		 6ieyA-5b5uA:
23.40
6ieyB-5b5uA:
23.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6IFT_A_SAMA301_1
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A)		 3zgb PHOSPHOENOLPYRUVATE
CARBOXYLASE
(Flaveria
pringlei) 		4 / 5 GLN A 963
GLU A 109
ASP A 889
ASN A 103
 ASP  A1967 ( 4.2A)
None
None
None
 1.33A 6iftA-3zgbA:
2.1		 6iftA-3zgbA:
14.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MHT_D_SAMD328_0
(CYTOSINE-SPECIFIC
METHYLTRANSFERASE
HHAI)		 5gpr CHITINASE
(Ostrinia
furnacalis) 		5 / 12 GLY A 438
GLY A 468
ASP A 509
ASP A 540
VAL A 461
 GLY  A 438 ( 0.0A)
GLY  A 468 ( 0.0A)
ASP  A 509 ( 0.6A)
ASP  A 540 ( 0.5A)
VAL  A 461 ( 0.6A)
 1.09A 6mhtA-5gprA:
undetectable		 6mhtA-5gprA:
20.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MKE_C_FK5C201_0
(PEPTIDYLPROLYL
ISOMERASE)		 1zlm OSTEOCLAST
STIMULATING FACTOR 1
(Homo
sapiens) 		4 / 4 ASP A  43
ILE A  61
PRO A  62
LEU A  60
 ASP  A  43 ( 0.6A)
ILE  A  61 ( 0.5A)
PRO  A  62 ( 1.1A)
LEU  A  60 ( 0.6A)
 1.36A 6mkeB-1zlmA:
undetectable		 6mkeB-1zlmA:
15.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MN4_D_AM2D301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 2nz2 ARGININOSUCCINATE
SYNTHASE
(Homo
sapiens) 		4 / 8 TRP A 145
ASP A 124
ARG A 272
GLU A 196
 None
ASP  A 501 ( 3.6A)
ASP  A 501 ( 4.6A)
None
 1.21A 6mn4D-2nz2A:
undetectable		 6mn4D-2nz2A:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6PAH_A_DAHA600_1
(PHENYLALANINE
4-MONOOXYGENASE)		 1y79 PEPTIDYL-DIPEPTIDASE
DCP
(Escherichia
coli) 		4 / 6 LEU 1 550
HIS 1 469
TYR 1 607
GLU 1 498
 ASP  1 704 ( 4.7A)
ZN  1 700 (-3.2A)
LYS  1 701 (-4.1A)
ZN  1 700 ( 2.2A)
 1.06A 6pahA-1y791:
undetectable		 6pahA-1y791:
18.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
7DFR_A_FOLA161_1
(DIHYDROFOLATE
REDUCTASE)		 4c9g ADP, ATP CARRIER
PROTEIN 2
(Saccharomyces
cerevisiae) 		3 / 3 ASP A  55
LEU A  58
ARG A  76
 ASP  A  55 (-0.6A)
LEU  A  58 (-0.6A)
ARG  A  76 ( 0.6A)
 0.84A 7dfrA-4c9gA:
undetectable		 7dfrA-4c9gA:
19.18