SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'LYS'


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.
1A4L_A_DCFA353_1
(ADENOSINE DEAMINASE)		 5xoy [LYSW]-LYSINE
HYDROLASE
(Thermus
thermophilus) 		5 / 12 HIS A 326
GLU A 124
HIS A  67
ASP A  91
ASP A 325
 None
LYS  A 401 (-3.0A)
None
None
None
 1.12A 1a4lA-5xoyA:
undetectable		 1a4lA-5xoyA:
24.34
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.
1A4L_B_DCFB853_1
(ADENOSINE DEAMINASE)		 5xoy [LYSW]-LYSINE
HYDROLASE
(Thermus
thermophilus) 		5 / 12 HIS A 326
GLU A 124
HIS A  67
ASP A  91
ASP A 325
 None
LYS  A 401 (-3.0A)
None
None
None
 1.12A 1a4lB-5xoyA:
undetectable		 1a4lB-5xoyA:
24.34
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.
1A4L_C_DCFC1353_1
(ADENOSINE DEAMINASE)		 5xoy [LYSW]-LYSINE
HYDROLASE
(Thermus
thermophilus) 		5 / 12 HIS A 326
GLU A 124
HIS A  67
ASP A  91
ASP A 325
 None
LYS  A 401 (-3.0A)
None
None
None
 1.12A 1a4lC-5xoyA:
undetectable		 1a4lC-5xoyA:
24.34
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.
1A4L_D_DCFD1853_1
(ADENOSINE DEAMINASE)		 5xoy [LYSW]-LYSINE
HYDROLASE
(Thermus
thermophilus) 		5 / 12 HIS A 326
GLU A 124
HIS A  67
ASP A  91
ASP A 325
 None
LYS  A 401 (-3.0A)
None
None
None
 1.14A 1a4lD-5xoyA:
undetectable		 1a4lD-5xoyA:
24.34
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.
1C9S_T_TRPT81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 3k4u BINDING COMPONENT OF
ABC TRANSPORTER
(Wolinella
succinogenes) 		4 / 7 GLY A  90
ALA A 124
THR A 185
THR A  71
 None
None
None
LYS  A 501 (-4.2A)
 0.85A 1c9sT-3k4uA:
undetectable
1c9sU-3k4uA:
undetectable		 1c9sT-3k4uA:
19.60
1c9sU-3k4uA:
19.60
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.
1DRF_A_FOLA187_1
(DIHYDROFOLATE
REDUCTASE)		 1bbu PROTEIN (LYSYL-TRNA
SYNTHETASE)
(Escherichia
coli) 		4 / 4 GLU A 256
ASN A 424
ARG A 262
THR A 207
 None
LYS  A 505 (-4.0A)
LYS  A 505 (-4.0A)
None
 1.37A 1drfA-1bbuA:
0.2		 1drfA-1bbuA:
20.71
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.
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_HLTA4002_1
(SERUM ALBUMIN)		 3ig0 DNA GYRASE SUBUNIT B
(Mycobacterium
tuberculosis) 		4 / 5 ARG A 631
ALA A 564
LYS A 526
GLU A 454
 ARG  A 631 ( 0.6A)
ALA  A 564 ( 0.0A)
LYS  A 526 ( 0.0A)
GLU  A 454 ( 0.6A)
 1.09A 1e7cA-3ig0A:
undetectable		 1e7cA-3ig0A:
17.65
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.
1EQB_A_FFOA1293_1
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 3k4u BINDING COMPONENT OF
ABC TRANSPORTER
(Wolinella
succinogenes) 		3 / 3 GLU A 143
TYR A  13
PHE A 160
 LYS  A 501 (-3.5A)
LYS  A 501 (-4.3A)
LYS  A 501 (-4.6A)
 0.81A 1eqbB-3k4uA:
undetectable		 1eqbB-3k4uA:
20.85
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.
1EQB_B_FFOB2293_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 3k4u BINDING COMPONENT OF
ABC TRANSPORTER
(Wolinella
succinogenes) 		3 / 3 GLU A 143
TYR A  13
PHE A 160
 LYS  A 501 (-3.5A)
LYS  A 501 (-4.3A)
LYS  A 501 (-4.6A)
 0.80A 1eqbA-3k4uA:
undetectable		 1eqbA-3k4uA:
20.85
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.
1EQB_C_FFOC3293_2
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 3k4u BINDING COMPONENT OF
ABC TRANSPORTER
(Wolinella
succinogenes) 		3 / 3 GLU A 143
TYR A  13
PHE A 160
 LYS  A 501 (-3.5A)
LYS  A 501 (-4.3A)
LYS  A 501 (-4.6A)
 0.81A 1eqbD-3k4uA:
undetectable		 1eqbD-3k4uA:
20.85
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.
1EQB_D_FFOD4293_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 3k4u BINDING COMPONENT OF
ABC TRANSPORTER
(Wolinella
succinogenes) 		3 / 3 GLU A 143
TYR A  13
PHE A 160
 LYS  A 501 (-3.5A)
LYS  A 501 (-4.3A)
LYS  A 501 (-4.6A)
 0.81A 1eqbC-3k4uA:
undetectable		 1eqbC-3k4uA:
20.85
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.
1FDU_B_ESTB354_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE)		 3wev L-LYSINE 6-OXIDASE
(Marinomonas
mediterranea) 		4 / 8 SER A 383
PRO A 449
TYR A 114
VAL A 119
 None
LYS  A 801 (-4.4A)
None
None
 1.08A 1fduB-3wevA:
undetectable		 1fduB-3wevA:
18.04
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.
1FM6_X_BRLX504_1
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		 4ffl PYLC
(Methanosarcina
barkeri) 		5 / 12 ILE A  38
GLY A  13
SER A 246
TYR A 286
HIS A 288
 None
None
LYS  A 901 ( 2.9A)
None
None
 1.35A 1fm6X-4fflA:
undetectable		 1fm6X-4fflA:
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.
1GSF_C_EAAC223_1
(GLUTATHIONE
TRANSFERASE A1-1)		 2pvu ARTJ
(Geobacillus
stearothermophil
us) 		4 / 8 TYR A 103
PHE A 104
GLY A  86
PHE A  45
 None
SO4  A 253 ( 4.2A)
LYS  A 301 (-4.9A)
None
 0.94A 1gsfC-2pvuA:
undetectable		 1gsfC-2pvuA:
22.14
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.
1GTF_L_TRPL81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))		 3k4u BINDING COMPONENT OF
ABC TRANSPORTER
(Wolinella
succinogenes) 		4 / 7 GLY A  90
ALA A 124
THR A 185
THR A  71
 None
None
None
LYS  A 501 (-4.2A)
 0.85A 1gtfL-3k4uA:
undetectable
1gtfM-3k4uA:
undetectable		 1gtfL-3k4uA:
19.60
1gtfM-3k4uA:
19.60
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.
1GTF_N_TRPN81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))		 3k4u BINDING COMPONENT OF
ABC TRANSPORTER
(Wolinella
succinogenes) 		4 / 8 GLY A  90
ALA A 124
THR A 185
THR A  71
 None
None
None
LYS  A 501 (-4.2A)
 0.82A 1gtfN-3k4uA:
undetectable
1gtfO-3k4uA:
undetectable		 1gtfN-3k4uA:
19.60
1gtfO-3k4uA:
19.60
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.
1HK1_A_T44A3003_1
(SERUM ALBUMIN)		 4dlk PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE, ATPASE
SUBUNIT
(Bacillus
anthracis) 		4 / 6 HIS A 274
ILE A 194
LYS A 240
ALA A 243
 HIS  A 274 (-1.0A)
ILE  A 194 ( 0.7A)
LYS  A 240 ( 0.0A)
ALA  A 243 ( 0.0A)
 0.98A 1hk1A-4dlkA:
undetectable		 1hk1A-4dlkA:
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.
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)		 4pj6 LEUCYL-CYSTINYL
AMINOPEPTIDASE
(Homo
sapiens) 		5 / 12 HIS A 464
GLU A 465
HIS A 468
GLU A 487
TYR A 549
 ZN  A1101 ( 3.2A)
LYS  A1102 (-3.4A)
ZN  A1101 (-3.2A)
ZN  A1101 ( 1.9A)
None
 0.84A 1j36A-4pj6A:
5.4		 1j36A-4pj6A:
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.
1J36_B_LPRB802_1
(ANGIOTENSIN
CONVERTING ENZYME)		 4pj6 LEUCYL-CYSTINYL
AMINOPEPTIDASE
(Homo
sapiens) 		5 / 12 HIS A 464
GLU A 465
HIS A 468
GLU A 487
TYR A 549
 ZN  A1101 ( 3.2A)
LYS  A1102 (-3.4A)
ZN  A1101 (-3.2A)
ZN  A1101 ( 1.9A)
None
 0.85A 1j36B-4pj6A:
5.4		 1j36B-4pj6A:
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.
1J37_A_X8ZA801_1
(ANGIOTENSIN
CONVERTING ENZYME)		 4pj6 LEUCYL-CYSTINYL
AMINOPEPTIDASE
(Homo
sapiens) 		5 / 11 HIS A 464
GLU A 465
HIS A 468
GLU A 487
PHE A 550
 ZN  A1101 ( 3.2A)
LYS  A1102 (-3.4A)
ZN  A1101 (-3.2A)
ZN  A1101 ( 1.9A)
None
 1.35A 1j37A-4pj6A:
5.1		 1j37A-4pj6A:
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.
1J37_A_X8ZA801_1
(ANGIOTENSIN
CONVERTING ENZYME)		 4pj6 LEUCYL-CYSTINYL
AMINOPEPTIDASE
(Homo
sapiens) 		5 / 11 HIS A 464
GLU A 465
HIS A 468
GLU A 487
TYR A 549
 ZN  A1101 ( 3.2A)
LYS  A1102 (-3.4A)
ZN  A1101 (-3.2A)
ZN  A1101 ( 1.9A)
None
 0.81A 1j37A-4pj6A:
5.1		 1j37A-4pj6A:
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.
1J37_B_X8ZB802_1
(ANGIOTENSIN
CONVERTING ENZYME)		 4pj6 LEUCYL-CYSTINYL
AMINOPEPTIDASE
(Homo
sapiens) 		5 / 11 HIS A 464
GLU A 465
HIS A 468
GLU A 487
PHE A 550
 ZN  A1101 ( 3.2A)
LYS  A1102 (-3.4A)
ZN  A1101 (-3.2A)
ZN  A1101 ( 1.9A)
None
 1.35A 1j37B-4pj6A:
5.4		 1j37B-4pj6A:
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.
1J37_B_X8ZB802_1
(ANGIOTENSIN
CONVERTING ENZYME)		 4pj6 LEUCYL-CYSTINYL
AMINOPEPTIDASE
(Homo
sapiens) 		5 / 11 HIS A 464
GLU A 465
HIS A 468
GLU A 487
TYR A 549
 ZN  A1101 ( 3.2A)
LYS  A1102 (-3.4A)
ZN  A1101 (-3.2A)
ZN  A1101 ( 1.9A)
None
 0.82A 1j37B-4pj6A:
5.4		 1j37B-4pj6A:
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.
1MJ2_A_SAMA2201_1
(PROTEIN (METHIONINE
REPRESSOR))		 3a9i HOMOCITRATE SYNTHASE
(Thermus
thermophilus) 		4 / 4 HIS A 195
ALA A 164
PHE A 140
GLY A 196
 LYS  A 378 ( 3.4A)
LYS  A 378 ( 3.9A)
None
None
 1.32A 1mj2B-3a9iA:
undetectable		 1mj2B-3a9iA:
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.
1MJ2_C_SAMC1200_1
(PROTEIN (METHIONINE
REPRESSOR))		 3a9i HOMOCITRATE SYNTHASE
(Thermus
thermophilus) 		4 / 4 HIS A 195
ALA A 164
PHE A 140
GLY A 196
 LYS  A 378 ( 3.4A)
LYS  A 378 ( 3.9A)
None
None
 1.30A 1mj2D-3a9iA:
undetectable		 1mj2D-3a9iA:
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.
1MJO_A_SAMA199_1
(METHIONINE REPRESSOR)		 3a9i HOMOCITRATE SYNTHASE
(Thermus
thermophilus) 		4 / 4 HIS A 195
ALA A 164
PHE A 140
GLY A 196
 LYS  A 378 ( 3.4A)
LYS  A 378 ( 3.9A)
None
None
 1.33A 1mjoB-3a9iA:
undetectable		 1mjoB-3a9iA:
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.
1MJO_B_SAMB200_0
(METHIONINE REPRESSOR)		 3a9i HOMOCITRATE SYNTHASE
(Thermus
thermophilus) 		4 / 4 HIS A 195
ALA A 164
PHE A 140
GLY A 196
 LYS  A 378 ( 3.4A)
LYS  A 378 ( 3.9A)
None
None
 1.34A 1mjoA-3a9iA:
undetectable		 1mjoA-3a9iA:
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.
1MJO_D_SAMD200_1
(METHIONINE REPRESSOR)		 3a9i HOMOCITRATE SYNTHASE
(Thermus
thermophilus) 		4 / 4 HIS A 195
ALA A 164
PHE A 140
GLY A 196
 LYS  A 378 ( 3.4A)
LYS  A 378 ( 3.9A)
None
None
 1.32A 1mjoD-3a9iA:
undetectable		 1mjoD-3a9iA:
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.
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.
1O86_A_LPRA702_1
(ANGIOTENSIN
CONVERTING ENZYME)		 4pj6 LEUCYL-CYSTINYL
AMINOPEPTIDASE
(Homo
sapiens) 		5 / 12 HIS A 464
GLU A 465
HIS A 468
GLU A 487
PHE A 550
 ZN  A1101 ( 3.2A)
LYS  A1102 (-3.4A)
ZN  A1101 (-3.2A)
ZN  A1101 ( 1.9A)
None
 1.31A 1o86A-4pj6A:
5.5		 1o86A-4pj6A:
21.35
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.
1O86_A_LPRA702_1
(ANGIOTENSIN
CONVERTING ENZYME)		 4pj6 LEUCYL-CYSTINYL
AMINOPEPTIDASE
(Homo
sapiens) 		5 / 12 HIS A 464
GLU A 465
HIS A 468
GLU A 487
TYR A 549
 ZN  A1101 ( 3.2A)
LYS  A1102 (-3.4A)
ZN  A1101 (-3.2A)
ZN  A1101 ( 1.9A)
None
 0.89A 1o86A-4pj6A:
5.5		 1o86A-4pj6A:
21.35
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.
1QAB_F_RTLF2_0
(PROTEIN (RETINOL
BINDING PROTEIN))		 4ex5 LYSINE--TRNA LIGASE
(Burkholderia
thailandensis) 		5 / 12 PHE A 202
ALA A 427
GLY A 429
PHE A 417
LEU A 243
 None
None
LYS  A 601 ( 4.3A)
None
None
 1.20A 1qabF-4ex5A:
undetectable		 1qabF-4ex5A:
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.
1QHY_A_CLMA888_0
(CHLORAMPHENICOL
PHOSPHOTRANSFERASE)		 3ab4 ASPARTOKINASE
(Corynebacterium
glutamicum) 		4 / 6 PRO A 358
ALA A 362
GLU A 366
GLU A 363
 LYS  A 601 (-4.5A)
None
None
None
 1.35A 1qhyA-3ab4A:
undetectable		 1qhyA-3ab4A:
18.94
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.
1RKW_A_PNTA225_0
(TRANSCRIPTIONAL
REGULATOR QACR)		 6gef TYPE IV SECRETION
SYSTEM PROTEIN DOTB
(Yersinia
pseudotuberculos
is) 		5 / 12 GLU A  24
LYS A  28
TYR A  17
GLU A  22
ASN A  67
 GLU  A  24 ( 0.6A)
LYS  A  28 ( 0.0A)
TYR  A  17 ( 1.3A)
GLU  A  22 ( 0.5A)
ASN  A  67 ( 0.6A)
 1.31A 1rkwA-6gefA:
0.0		 1rkwA-6gefA:
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.
1S9Q_A_CHDA459_0
(ESTROGEN-RELATED
RECEPTOR GAMMA)		 3kw0 CYSTEINE PEPTIDASE
(Bacillus
cereus) 		4 / 6 ASP A  68
VAL A 136
ILE A 139
TYR A  79
 LYS  A 201 (-2.8A)
None
None
None
 0.89A 1s9qA-3kw0A:
undetectable		 1s9qA-3kw0A:
24.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TUF_A_AZ1A502_1
(DIAMINOPIMELATE
DECARBOXYLASE)		 2qgh DIAMINOPIMELATE
DECARBOXYLASE
(Helicobacter
pylori) 		5 / 9 HIS A 185
GLY A 187
SER A 188
ARG A 262
ARG A 298
 PLP  A 406 (-3.5A)
None
PLP  A 406 (-2.6A)
LYS  A 407 ( 2.6A)
LYS  A 407 (-3.5A)
 0.64A 1tufA-2qghA:
48.9
1tufB-2qghA:
49.3		 1tufA-2qghA:
37.78
1tufB-2qghA:
37.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TUF_A_AZ1A502_1
(DIAMINOPIMELATE
DECARBOXYLASE)		 2qgh DIAMINOPIMELATE
DECARBOXYLASE
(Helicobacter
pylori) 		5 / 9 HIS A 185
GLY A 187
SER A 188
ARG A 262
TYR A 302
 PLP  A 406 (-3.5A)
None
PLP  A 406 (-2.6A)
LYS  A 407 ( 2.6A)
LYS  A 407 (-4.0A)
 0.45A 1tufA-2qghA:
48.9
1tufB-2qghA:
49.3		 1tufA-2qghA:
37.78
1tufB-2qghA:
37.78
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.
1TUF_A_AZ1A502_1
(DIAMINOPIMELATE
DECARBOXYLASE)		 5x7n DIAMINOPIMELATE
DECARBOXYLASE
(Corynebacterium
glutamicum) 		5 / 9 GLY A 218
SER A 219
ARG A 302
ARG A 343
TYR A 347
 None
PLP  A 504 ( 4.8A)
LYS  A 505 ( 3.8A)
LYS  A 505 (-4.3A)
LYS  A 505 (-4.0A)
 1.17A 1tufA-5x7nA:
46.7
1tufB-5x7nA:
46.7		 1tufA-5x7nA:
11.50
1tufB-5x7nA:
11.50
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.
1TUF_A_AZ1A502_1
(DIAMINOPIMELATE
DECARBOXYLASE)		 5x7n DIAMINOPIMELATE
DECARBOXYLASE
(Corynebacterium
glutamicum) 		5 / 9 HIS A 216
GLY A 218
SER A 219
ARG A 302
TYR A 347
 PLP  A 504 (-3.5A)
None
PLP  A 504 ( 4.8A)
LYS  A 505 ( 3.8A)
LYS  A 505 (-4.0A)
 1.12A 1tufA-5x7nA:
46.7
1tufB-5x7nA:
46.7		 1tufA-5x7nA:
11.50
1tufB-5x7nA:
11.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TUF_B_AZ1B503_1
(DIAMINOPIMELATE
DECARBOXYLASE)		 1ko0 DIAMINOPIMELATE
DECARBOXYLASE
(Escherichia
coli) 		4 / 6 ARG A 271
ARG A 307
TYR A 311
TYR A 378
 LYS  A 541 ( 3.3A)
LYS  A 541 (-4.0A)
LYS  A 541 ( 4.4A)
LYS  A 541 (-3.4A)
 0.88A 1tufA-1ko0A:
42.0
1tufB-1ko0A:
42.4		 1tufA-1ko0A:
32.05
1tufB-1ko0A:
32.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TUF_B_AZ1B503_1
(DIAMINOPIMELATE
DECARBOXYLASE)		 2qgh DIAMINOPIMELATE
DECARBOXYLASE
(Helicobacter
pylori) 		4 / 6 SER A 188
ARG A 262
ARG A 298
TYR A 358
 PLP  A 406 (-2.6A)
LYS  A 407 ( 2.6A)
LYS  A 407 (-3.5A)
LYS  A 407 ( 3.5A)
 0.73A 1tufA-2qghA:
48.9
1tufB-2qghA:
49.3		 1tufA-2qghA:
37.78
1tufB-2qghA:
37.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TUF_B_AZ1B503_1
(DIAMINOPIMELATE
DECARBOXYLASE)		 2qgh DIAMINOPIMELATE
DECARBOXYLASE
(Helicobacter
pylori) 		4 / 6 SER A 188
ARG A 262
TYR A 302
TYR A 358
 PLP  A 406 (-2.6A)
LYS  A 407 ( 2.6A)
LYS  A 407 (-4.0A)
LYS  A 407 ( 3.5A)
 0.37A 1tufA-2qghA:
48.9
1tufB-2qghA:
49.3		 1tufA-2qghA:
37.78
1tufB-2qghA:
37.78
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.
1U70_A_MTXA187_2
(DIHYDROFOLATE
REDUCTASE)		 3l76 ASPARTOKINASE
(Synechocystis
sp.
PCC
6803) 		4 / 4 SER A 569
ILE A 568
VAL A 435
THR A 198
 None
LYS  A 603 (-4.5A)
None
None
 1.21A 1u70A-3l76A:
undetectable		 1u70A-3l76A:
16.27
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.
1UWH_B_BAXB1723_2
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 3a9i HOMOCITRATE SYNTHASE
(Thermus
thermophilus) 		4 / 6 ILE A  42
VAL A 158
ILE A 123
ASP A  92
 None
None
None
LYS  A 378 (-3.3A)
 0.82A 1uwhB-3a9iA:
undetectable		 1uwhB-3a9iA:
22.25
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.
1V2X_A_SAMA400_0
(TRNA (GM18)
METHYLTRANSFERASE)		 2ywy NEW ANTIGEN RECEPTOR
VARIABLE DOMAIN
(Orectolobus
maculatus) 		5 / 12 GLY A 105
GLY A 103
LYS A  48
ILE A  49
LEU A  68
 GLY  A 105 ( 0.0A)
GLY  A 103 ( 0.0A)
LYS  A  48 ( 0.0A)
ILE  A  49 ( 0.7A)
LEU  A  68 ( 0.6A)
 0.93A 1v2xA-2ywyA:
undetectable		 1v2xA-2ywyA:
20.42
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.
1V54_C_CHDC3271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE III
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)		 5d7w SERRALYSIN
(Serratia
marcescens) 		4 / 8 LYS A  57
LEU A  58
PHE A  60
LEU A 182
 LYS  A  57 ( 0.0A)
LEU  A  58 ( 0.6A)
PHE  A  60 ( 1.3A)
LEU  A 182 ( 0.6A)
 0.89A 1v54C-5d7wA:
undetectable
1v54J-5d7wA:
undetectable		 1v54C-5d7wA:
19.92
1v54J-5d7wA:
8.16
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.
1V55_C_CHDC3271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE III
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)		 5d7w SERRALYSIN
(Serratia
marcescens) 		4 / 7 LYS A  57
LEU A  58
PHE A  60
LEU A 182
 LYS  A  57 ( 0.0A)
LEU  A  58 ( 0.6A)
PHE  A  60 ( 1.3A)
LEU  A 182 ( 0.6A)
 0.95A 1v55C-5d7wA:
undetectable
1v55J-5d7wA:
undetectable		 1v55C-5d7wA:
19.92
1v55J-5d7wA:
8.16
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.
1V7Z_A_CRNA401_1
(CREATININE
AMIDOHYDROLASE)		 4pj6 LEUCYL-CYSTINYL
AMINOPEPTIDASE
(Homo
sapiens) 		4 / 8 GLU A 487
HIS A 464
HIS A 468
GLU A 465
 ZN  A1101 ( 1.9A)
ZN  A1101 ( 3.2A)
ZN  A1101 (-3.2A)
LYS  A1102 (-3.4A)
 0.81A 1v7zA-4pj6A:
undetectable		 1v7zA-4pj6A:
14.84
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.
1V7Z_A_CRNA401_1
(CREATININE
AMIDOHYDROLASE)		 5a3y THERMOLYSIN
(Bacillus
thermoproteolyti
cus) 		5 / 8 GLU A 166
HIS A 142
HIS A 231
HIS A 146
GLU A 143
 ZN  A1317 (-2.3A)
ZN  A1317 (-3.2A)
LYS  A1323 (-3.6A)
ZN  A1317 (-3.2A)
VAL  A1322 (-3.2A)
 1.23A 1v7zA-5a3yA:
undetectable		 1v7zA-5a3yA:
18.27
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.
1V7Z_A_CRNA401_1
(CREATININE
AMIDOHYDROLASE)		 5fxn THERMOLYSIN
(Bacillus
thermoproteolyti
cus) 		5 / 8 GLU A 166
HIS A 142
HIS A 231
HIS A 146
GLU A 143
 ZN  A1317 (-2.2A)
ZN  A1317 (-3.2A)
LYS  A1319 (-3.5A)
ZN  A1317 (-3.3A)
VAL  A1318 (-3.1A)
 1.20A 1v7zA-5fxnA:
undetectable		 1v7zA-5fxnA:
22.32
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.
1V7Z_A_CRNA401_1
(CREATININE
AMIDOHYDROLASE)		 5xoy [LYSW]-LYSINE
HYDROLASE
(Thermus
thermophilus) 		4 / 8 GLU A 148
HIS A  67
ASP A  91
GLU A 125
 None
None
None
LYS  A 401 (-3.7A)
 0.93A 1v7zA-5xoyA:
5.4		 1v7zA-5xoyA:
22.74
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.
1V7Z_B_CRNB3401_1
(CREATININE
AMIDOHYDROLASE)		 4pj6 LEUCYL-CYSTINYL
AMINOPEPTIDASE
(Homo
sapiens) 		4 / 8 GLU A 487
HIS A 464
HIS A 468
GLU A 465
 ZN  A1101 ( 1.9A)
ZN  A1101 ( 3.2A)
ZN  A1101 (-3.2A)
LYS  A1102 (-3.4A)
 0.81A 1v7zB-4pj6A:
undetectable		 1v7zB-4pj6A:
14.84
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.
1V7Z_B_CRNB3401_1
(CREATININE
AMIDOHYDROLASE)		 5a3y THERMOLYSIN
(Bacillus
thermoproteolyti
cus) 		5 / 8 GLU A 166
HIS A 142
HIS A 231
HIS A 146
GLU A 143
 ZN  A1317 (-2.3A)
ZN  A1317 (-3.2A)
LYS  A1323 (-3.6A)
ZN  A1317 (-3.2A)
VAL  A1322 (-3.2A)
 1.23A 1v7zB-5a3yA:
undetectable		 1v7zB-5a3yA:
18.27
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.
1V7Z_B_CRNB3401_1
(CREATININE
AMIDOHYDROLASE)		 5fxn THERMOLYSIN
(Bacillus
thermoproteolyti
cus) 		5 / 8 GLU A 166
HIS A 142
HIS A 231
HIS A 146
GLU A 143
 ZN  A1317 (-2.2A)
ZN  A1317 (-3.2A)
LYS  A1319 (-3.5A)
ZN  A1317 (-3.3A)
VAL  A1318 (-3.1A)
 1.20A 1v7zB-5fxnA:
undetectable		 1v7zB-5fxnA:
22.32
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.
1V7Z_B_CRNB3401_1
(CREATININE
AMIDOHYDROLASE)		 5xoy [LYSW]-LYSINE
HYDROLASE
(Thermus
thermophilus) 		4 / 8 GLU A 148
HIS A  67
ASP A  91
GLU A 125
 None
None
None
LYS  A 401 (-3.7A)
 0.94A 1v7zB-5xoyA:
5.4		 1v7zB-5xoyA:
22.74
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.
1V7Z_C_CRNC4401_1
(CREATININE
AMIDOHYDROLASE)		 4pj6 LEUCYL-CYSTINYL
AMINOPEPTIDASE
(Homo
sapiens) 		4 / 8 GLU A 487
HIS A 464
HIS A 468
GLU A 465
 ZN  A1101 ( 1.9A)
ZN  A1101 ( 3.2A)
ZN  A1101 (-3.2A)
LYS  A1102 (-3.4A)
 0.82A 1v7zC-4pj6A:
undetectable		 1v7zC-4pj6A:
14.84
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.
1V7Z_C_CRNC4401_1
(CREATININE
AMIDOHYDROLASE)		 5a3y THERMOLYSIN
(Bacillus
thermoproteolyti
cus) 		5 / 8 GLU A 166
HIS A 142
HIS A 231
HIS A 146
GLU A 143
 ZN  A1317 (-2.3A)
ZN  A1317 (-3.2A)
LYS  A1323 (-3.6A)
ZN  A1317 (-3.2A)
VAL  A1322 (-3.2A)
 1.24A 1v7zC-5a3yA:
undetectable		 1v7zC-5a3yA:
18.27
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.
1V7Z_C_CRNC4401_1
(CREATININE
AMIDOHYDROLASE)		 5fxn THERMOLYSIN
(Bacillus
thermoproteolyti
cus) 		5 / 8 GLU A 166
HIS A 142
HIS A 231
HIS A 146
GLU A 143
 ZN  A1317 (-2.2A)
ZN  A1317 (-3.2A)
LYS  A1319 (-3.5A)
ZN  A1317 (-3.3A)
VAL  A1318 (-3.1A)
 1.21A 1v7zC-5fxnA:
undetectable		 1v7zC-5fxnA:
22.32
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.
1V7Z_C_CRNC4401_1
(CREATININE
AMIDOHYDROLASE)		 5xoy [LYSW]-LYSINE
HYDROLASE
(Thermus
thermophilus) 		4 / 8 GLU A 148
HIS A  67
ASP A  91
GLU A 125
 None
None
None
LYS  A 401 (-3.7A)
 0.95A 1v7zC-5xoyA:
5.4		 1v7zC-5xoyA:
22.74
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.
1V7Z_D_CRND5401_1
(CREATININE
AMIDOHYDROLASE)		 4pj6 LEUCYL-CYSTINYL
AMINOPEPTIDASE
(Homo
sapiens) 		4 / 8 GLU A 487
HIS A 464
HIS A 468
GLU A 465
 ZN  A1101 ( 1.9A)
ZN  A1101 ( 3.2A)
ZN  A1101 (-3.2A)
LYS  A1102 (-3.4A)
 0.83A 1v7zD-4pj6A:
undetectable		 1v7zD-4pj6A:
14.84
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.
1V7Z_D_CRND5401_1
(CREATININE
AMIDOHYDROLASE)		 5a3y THERMOLYSIN
(Bacillus
thermoproteolyti
cus) 		5 / 8 GLU A 166
HIS A 142
HIS A 231
HIS A 146
GLU A 143
 ZN  A1317 (-2.3A)
ZN  A1317 (-3.2A)
LYS  A1323 (-3.6A)
ZN  A1317 (-3.2A)
VAL  A1322 (-3.2A)
 1.24A 1v7zD-5a3yA:
undetectable		 1v7zD-5a3yA:
18.27
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.
1V7Z_D_CRND5401_1
(CREATININE
AMIDOHYDROLASE)		 5fxn THERMOLYSIN
(Bacillus
thermoproteolyti
cus) 		5 / 8 GLU A 166
HIS A 142
HIS A 231
HIS A 146
GLU A 143
 ZN  A1317 (-2.2A)
ZN  A1317 (-3.2A)
LYS  A1319 (-3.5A)
ZN  A1317 (-3.3A)
VAL  A1318 (-3.1A)
 1.21A 1v7zD-5fxnA:
undetectable		 1v7zD-5fxnA:
22.32
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.
1V7Z_D_CRND5401_1
(CREATININE
AMIDOHYDROLASE)		 5xoy [LYSW]-LYSINE
HYDROLASE
(Thermus
thermophilus) 		4 / 8 GLU A 148
HIS A  67
ASP A  91
GLU A 125
 None
None
None
LYS  A 401 (-3.7A)
 0.94A 1v7zD-5xoyA:
5.4		 1v7zD-5xoyA:
22.74
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.
1V7Z_E_CRNE6401_1
(CREATININE
AMIDOHYDROLASE)		 4pj6 LEUCYL-CYSTINYL
AMINOPEPTIDASE
(Homo
sapiens) 		4 / 8 GLU A 487
HIS A 464
HIS A 468
GLU A 465
 ZN  A1101 ( 1.9A)
ZN  A1101 ( 3.2A)
ZN  A1101 (-3.2A)
LYS  A1102 (-3.4A)
 0.83A 1v7zE-4pj6A:
undetectable		 1v7zE-4pj6A:
14.84
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.
1V7Z_E_CRNE6401_1
(CREATININE
AMIDOHYDROLASE)		 5a3y THERMOLYSIN
(Bacillus
thermoproteolyti
cus) 		5 / 8 GLU A 166
HIS A 142
HIS A 231
HIS A 146
GLU A 143
 ZN  A1317 (-2.3A)
ZN  A1317 (-3.2A)
LYS  A1323 (-3.6A)
ZN  A1317 (-3.2A)
VAL  A1322 (-3.2A)
 1.23A 1v7zE-5a3yA:
undetectable		 1v7zE-5a3yA:
18.27
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.
1V7Z_E_CRNE6401_1
(CREATININE
AMIDOHYDROLASE)		 5fxn THERMOLYSIN
(Bacillus
thermoproteolyti
cus) 		5 / 8 GLU A 166
HIS A 142
HIS A 231
HIS A 146
GLU A 143
 ZN  A1317 (-2.2A)
ZN  A1317 (-3.2A)
LYS  A1319 (-3.5A)
ZN  A1317 (-3.3A)
VAL  A1318 (-3.1A)
 1.20A 1v7zE-5fxnA:
undetectable		 1v7zE-5fxnA:
22.32
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.
1V7Z_E_CRNE6401_1
(CREATININE
AMIDOHYDROLASE)		 5xoy [LYSW]-LYSINE
HYDROLASE
(Thermus
thermophilus) 		4 / 8 GLU A 148
HIS A  67
ASP A  91
GLU A 125
 None
None
None
LYS  A 401 (-3.7A)
 0.94A 1v7zE-5xoyA:
5.3		 1v7zE-5xoyA:
22.74
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.
1V7Z_F_CRNF7401_1
(CREATININE
AMIDOHYDROLASE)		 4pj6 LEUCYL-CYSTINYL
AMINOPEPTIDASE
(Homo
sapiens) 		4 / 8 GLU A 487
HIS A 464
HIS A 468
GLU A 465
 ZN  A1101 ( 1.9A)
ZN  A1101 ( 3.2A)
ZN  A1101 (-3.2A)
LYS  A1102 (-3.4A)
 0.83A 1v7zF-4pj6A:
undetectable		 1v7zF-4pj6A:
14.84
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.
1V7Z_F_CRNF7401_1
(CREATININE
AMIDOHYDROLASE)		 5a3y THERMOLYSIN
(Bacillus
thermoproteolyti
cus) 		5 / 8 GLU A 166
HIS A 142
HIS A 231
HIS A 146
GLU A 143
 ZN  A1317 (-2.3A)
ZN  A1317 (-3.2A)
LYS  A1323 (-3.6A)
ZN  A1317 (-3.2A)
VAL  A1322 (-3.2A)
 1.24A 1v7zF-5a3yA:
undetectable		 1v7zF-5a3yA:
18.27
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.
1V7Z_F_CRNF7401_1
(CREATININE
AMIDOHYDROLASE)		 5fxn THERMOLYSIN
(Bacillus
thermoproteolyti
cus) 		5 / 8 GLU A 166
HIS A 142
HIS A 231
HIS A 146
GLU A 143
 ZN  A1317 (-2.2A)
ZN  A1317 (-3.2A)
LYS  A1319 (-3.5A)
ZN  A1317 (-3.3A)
VAL  A1318 (-3.1A)
 1.21A 1v7zF-5fxnA:
undetectable		 1v7zF-5fxnA:
22.32
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.
1V7Z_F_CRNF7401_1
(CREATININE
AMIDOHYDROLASE)		 5xoy [LYSW]-LYSINE
HYDROLASE
(Thermus
thermophilus) 		4 / 8 GLU A 148
HIS A  67
ASP A  91
GLU A 125
 None
None
None
LYS  A 401 (-3.7A)
 0.94A 1v7zF-5xoyA:
5.4		 1v7zF-5xoyA:
22.74
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.
1V8B_C_ADNC2502_2
(ADENOSYLHOMOCYSTEINA
SE)		 5vl1 LYSINE--TRNA LIGASE
(Mycobacterium
ulcerans) 		3 / 3 GLU A 271
THR A 468
LEU A 190
 LYS  A 502 (-3.3A)
None
None
 0.67A 1v8bC-5vl1A:
undetectable		 1v8bC-5vl1A:
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.
1V8B_C_ADNC2502_2
(ADENOSYLHOMOCYSTEINA
SE)		 6aqh LYSINE--TRNA LIGASE
(Mycolicibacteriu
m
thermoresistibil
e) 		3 / 3 GLU A 274
THR A 472
LEU A 193
 LYS  A 601 (-3.5A)
None
None
 0.61A 1v8bC-6aqhA:
undetectable		 1v8bC-6aqhA:
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.
1XQL_A_4AXA605_1
(ALANINE RACEMASE)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		4 / 8 LYS A 592
TYR A 594
ARG A 407
TYR A 545
 LYS  A 592 (-0.0A)
TYR  A 594 (-1.3A)
ARG  A 407 ( 0.6A)
TYR  A 545 ( 1.3A)
 1.35A 1xqlA-4flxA:
undetectable
1xqlB-4flxA:
undetectable		 1xqlA-4flxA:
21.34
1xqlB-4flxA:
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.
1XQL_B_4AXB505_1
(ALANINE RACEMASE)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		4 / 8 LYS A 592
TYR A 594
ARG A 407
TYR A 545
 LYS  A 592 (-0.0A)
TYR  A 594 (-1.3A)
ARG  A 407 ( 0.6A)
TYR  A 545 ( 1.3A)
 1.39A 1xqlA-4flxA:
undetectable
1xqlB-4flxA:
undetectable		 1xqlA-4flxA:
21.34
1xqlB-4flxA:
21.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A5H_A_SAMA417_0
(L-LYSINE
2,3-AMINOMUTASE)		 2a5h L-LYSINE
2,3-AMINOMUTASE
(Clostridium
subterminale) 		11 / 11 HIS A 131
THR A 133
ARG A 134
SER A 169
HIS A 230
GLN A 258
VAL A 260
TYR A 290
CYH A 292
ASP A 293
LEU A 298
 SAM  A 417 (-4.6A)
SAM  A 417 (-3.6A)
LYS  A 420 ( 2.3A)
LYS  A 420 ( 2.9A)
SAM  A 417 ( 3.6A)
LYS  A 420 (-3.9A)
SAM  A 417 (-4.5A)
LYS  A 420 ( 3.9A)
SAM  A 417 (-3.6A)
LYS  A 420 ( 3.2A)
SAM  A 417 (-4.8A)
 0.13A 2a5hA-2a5hA:
65.0		 2a5hA-2a5hA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A5H_B_SAMB417_0
(L-LYSINE
2,3-AMINOMUTASE)		 2a5h L-LYSINE
2,3-AMINOMUTASE
(Clostridium
subterminale) 		12 / 12 HIS A 131
THR A 133
ARG A 134
SER A 169
ARG A 202
HIS A 230
GLN A 258
VAL A 260
TYR A 290
CYH A 292
ASP A 293
LEU A 298
 SAM  A 417 (-4.6A)
SAM  A 417 (-3.6A)
LYS  A 420 ( 2.3A)
LYS  A 420 ( 2.9A)
None
SAM  A 417 ( 3.6A)
LYS  A 420 (-3.9A)
SAM  A 417 (-4.5A)
LYS  A 420 ( 3.9A)
SAM  A 417 (-3.6A)
LYS  A 420 ( 3.2A)
SAM  A 417 (-4.8A)
 0.14A 2a5hB-2a5hA:
63.5		 2a5hB-2a5hA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A5H_C_SAMC417_0
(L-LYSINE
2,3-AMINOMUTASE)		 2a5h L-LYSINE
2,3-AMINOMUTASE
(Clostridium
subterminale) 		12 / 12 HIS A 131
THR A 133
ARG A 134
SER A 169
ARG A 202
HIS A 230
GLN A 258
VAL A 260
TYR A 290
CYH A 292
ASP A 293
LEU A 298
 SAM  A 417 (-4.6A)
SAM  A 417 (-3.6A)
LYS  A 420 ( 2.3A)
LYS  A 420 ( 2.9A)
None
SAM  A 417 ( 3.6A)
LYS  A 420 (-3.9A)
SAM  A 417 (-4.5A)
LYS  A 420 ( 3.9A)
SAM  A 417 (-3.6A)
LYS  A 420 ( 3.2A)
SAM  A 417 (-4.8A)
 0.14A 2a5hC-2a5hA:
63.7		 2a5hC-2a5hA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A5H_D_SAMD417_0
(L-LYSINE
2,3-AMINOMUTASE)		 2a5h L-LYSINE
2,3-AMINOMUTASE
(Clostridium
subterminale) 		12 / 12 HIS A 131
THR A 133
ARG A 134
SER A 169
ARG A 202
HIS A 230
GLN A 258
VAL A 260
TYR A 290
CYH A 292
ASP A 293
LEU A 298
 SAM  A 417 (-4.6A)
SAM  A 417 (-3.6A)
LYS  A 420 ( 2.3A)
LYS  A 420 ( 2.9A)
None
SAM  A 417 ( 3.6A)
LYS  A 420 (-3.9A)
SAM  A 417 (-4.5A)
LYS  A 420 ( 3.9A)
SAM  A 417 (-3.6A)
LYS  A 420 ( 3.2A)
SAM  A 417 (-4.8A)
 0.14A 2a5hD-2a5hA:
63.5		 2a5hD-2a5hA:
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.
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.
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.
2BXC_A_P1ZA2001_1
(SERUM ALBUMIN)		 2cdq ASPARTOKINASE
(Arabidopsis
thaliana) 		6 / 12 SER A  64
LEU A 244
ALA A 299
ILE A 304
ILE A 249
ALA A 237
 LYS  A 601 (-3.9A)
None
None
None
None
None
 1.45A 2bxcA-2cdqA:
undetectable		 2bxcA-2cdqA:
21.57
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.
2C6N_A_LPRA705_1
(ANGIOTENSIN-CONVERTI
NG ENZYME, SOMATIC
ISOFORM)		 4pj6 LEUCYL-CYSTINYL
AMINOPEPTIDASE
(Homo
sapiens) 		5 / 12 HIS A 464
GLU A 465
HIS A 468
GLU A 487
TYR A 549
 ZN  A1101 ( 3.2A)
LYS  A1102 (-3.4A)
ZN  A1101 (-3.2A)
ZN  A1101 ( 1.9A)
None
 0.81A 2c6nA-4pj6A:
5.5		 2c6nA-4pj6A:
23.01
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.
2C6N_B_LPRB705_1
(ANGIOTENSIN-CONVERTI
NG ENZYME, SOMATIC
ISOFORM)		 4pj6 LEUCYL-CYSTINYL
AMINOPEPTIDASE
(Homo
sapiens) 		5 / 12 HIS A 464
GLU A 465
HIS A 468
GLU A 487
TYR A 549
 ZN  A1101 ( 3.2A)
LYS  A1102 (-3.4A)
ZN  A1101 (-3.2A)
ZN  A1101 ( 1.9A)
None
 0.87A 2c6nB-4pj6A:
5.8		 2c6nB-4pj6A:
23.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2CDQ_A_SAMA1500_0
(ASPARTOKINASE)		 2cdq ASPARTOKINASE
(Arabidopsis
thaliana) 		8 / 8 ILE A 370
SER A 371
ASP A 387
TRP A 392
SER A 393
ARG A 394
LEU A 396
GLU A 400
 SAM  A1500 (-4.4A)
LYS  A 600 ( 3.3A)
SAM  A1500 (-4.7A)
SAM  A1500 (-3.7A)
SAM  A1500 (-2.6A)
SAM  A1500 (-3.7A)
SAM  A1500 (-4.1A)
SAM  A1500 (-3.8A)
 0.00A 2cdqA-2cdqA:
62.0		 2cdqA-2cdqA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2CDQ_B_SAMB1500_0
(ASPARTOKINASE)		 2cdq ASPARTOKINASE
(Arabidopsis
thaliana) 		7 / 7 SER A 371
ASP A 387
TRP A 392
SER A 393
ARG A 394
LEU A 396
GLU A 400
 LYS  A 600 ( 3.3A)
SAM  A1500 (-4.7A)
SAM  A1500 (-3.7A)
SAM  A1500 (-2.6A)
SAM  A1500 (-3.7A)
SAM  A1500 (-4.1A)
SAM  A1500 (-3.8A)
 0.25A 2cdqB-2cdqA:
59.7		 2cdqB-2cdqA:
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.
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.
2DYR_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5d7w SERRALYSIN
(Serratia
marcescens) 		4 / 8 LYS A  57
LEU A  58
PHE A  60
LEU A 182
 LYS  A  57 ( 0.0A)
LEU  A  58 ( 0.6A)
PHE  A  60 ( 1.3A)
LEU  A 182 ( 0.6A)
 0.89A 2dyrC-5d7wA:
undetectable
2dyrJ-5d7wA:
undetectable		 2dyrC-5d7wA:
19.92
2dyrJ-5d7wA:
8.16
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.
2DYS_P_CHDP310_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5d7w SERRALYSIN
(Serratia
marcescens) 		4 / 7 LYS A  57
LEU A  58
PHE A  60
LEU A 182
 LYS  A  57 ( 0.0A)
LEU  A  58 ( 0.6A)
PHE  A  60 ( 1.3A)
LEU  A 182 ( 0.6A)
 0.87A 2dysP-5d7wA:
undetectable
2dysW-5d7wA:
undetectable		 2dysP-5d7wA:
19.92
2dysW-5d7wA:
8.16
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.
2EIJ_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5d7w SERRALYSIN
(Serratia
marcescens) 		4 / 7 LYS A  57
LEU A  58
PHE A  60
LEU A 182
 LYS  A  57 ( 0.0A)
LEU  A  58 ( 0.6A)
PHE  A  60 ( 1.3A)
LEU  A 182 ( 0.6A)
 0.90A 2eijC-5d7wA:
undetectable
2eijJ-5d7wA:
undetectable		 2eijC-5d7wA:
19.92
2eijJ-5d7wA:
8.16
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.
2EIL_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5d7w SERRALYSIN
(Serratia
marcescens) 		4 / 8 LYS A  57
LEU A  58
PHE A  60
LEU A 182
 LYS  A  57 ( 0.0A)
LEU  A  58 ( 0.6A)
PHE  A  60 ( 1.3A)
LEU  A 182 ( 0.6A)
 0.86A 2eilC-5d7wA:
undetectable
2eilJ-5d7wA:
undetectable		 2eilC-5d7wA:
19.92
2eilJ-5d7wA:
8.16
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.
2EIM_W_CHDW1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5d7w SERRALYSIN
(Serratia
marcescens) 		4 / 7 LYS A  57
LEU A  58
PHE A  60
LEU A 182
 LYS  A  57 ( 0.0A)
LEU  A  58 ( 0.6A)
PHE  A  60 ( 1.3A)
LEU  A 182 ( 0.6A)
 0.91A 2eimP-5d7wA:
undetectable
2eimW-5d7wA:
undetectable		 2eimP-5d7wA:
19.92
2eimW-5d7wA:
8.16
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.
2EJT_A_SAMA501_1
(N(2),N(2)-DIMETHYLGU
ANOSINE TRNA
METHYLTRANSFERASE)		 1bbu PROTEIN (LYSYL-TRNA
SYNTHETASE)
(Escherichia
coli) 		3 / 3 ARG A 262
ASP A 450
ASP A 447
 LYS  A 505 (-4.0A)
None
None
 0.86A 2ejtA-1bbuA:
undetectable		 2ejtA-1bbuA:
21.83
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.
2EJT_A_SAMA501_1
(N(2),N(2)-DIMETHYLGU
ANOSINE TRNA
METHYLTRANSFERASE)		 4ex5 LYSINE--TRNA LIGASE
(Burkholderia
thailandensis) 		3 / 3 ARG A 262
ASP A 454
ASP A 451
 LYS  A 601 (-3.7A)
None
None
 0.84A 2ejtA-4ex5A:
undetectable		 2ejtA-4ex5A:
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.
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_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
MET A 227
LYS A 276
ASN A 279
MET A 281
 LEU  A 156 ( 0.6A)
VAL  A 164 ( 0.6A)
ALA  A 177 ( 0.0A)
MET  A 227 ( 0.0A)
LYS  A 276 ( 0.0A)
ASN  A 279 ( 0.6A)
MET  A 281 ( 0.0A)
 0.92A 2fumD-3o96A:
24.0		 2fumD-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.
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.
2HRE_B_CHDB701_0
(FERROCHELATASE)		 3pu5 EXTRACELLULAR
SOLUTE-BINDING
PROTEIN
(Bordetella
parapertussis) 		3 / 3 LYS A 123
GLY A 263
PRO A 260
 LYS  A 123 ( 0.0A)
GLY  A 263 ( 0.0A)
PRO  A 260 ( 1.1A)
 0.95A 2hreB-3pu5A:
undetectable		 2hreB-3pu5A:
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.
2HRE_B_CHDB701_0
(FERROCHELATASE)		 3wev L-LYSINE 6-OXIDASE
(Marinomonas
mediterranea) 		3 / 3 LYS A 582
GLY A 450
PRO A 449
 TRQ  A 581 ( 2.7A)
TRQ  A 581 ( 3.3A)
LYS  A 801 (-4.4A)
 1.02A 2hreB-3wevA:
undetectable		 2hreB-3wevA:
17.41
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.
2I30_A_SALA1100_1
(SERUM ALBUMIN)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		4 / 6 PHE A 323
ARG A 298
GLY A 297
LYS A 296
 PHE  A 323 ( 1.3A)
ARG  A 298 ( 0.6A)
GLY  A 297 ( 0.0A)
LYS  A 296 ( 0.0A)
 1.14A 2i30A-2nvvA:
undetectable		 2i30A-2nvvA:
20.85
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.
2J9C_A_ACTA1122_0
(HYPOTHETICAL
NITROGEN REGULATORY
PII-LIKE PROTEIN
MJ0059)		 3qvi HISTO-ASPARTIC
PROTEASE
(Plasmodium
falciparum) 		4 / 7 SER A  42
LYS A  44
SER A  85
SER A  58
 SER  A  42 ( 0.0A)
LYS  A  44 ( 0.0A)
SER  A  85 ( 0.0A)
SER  A  58 ( 0.0A)
 1.11A 2j9cA-3qviA:
undetectable
2j9cB-3qviA:
undetectable
2j9cC-3qviA:
undetectable		 2j9cA-3qviA:
14.74
2j9cB-3qviA:
14.74
2j9cC-3qviA:
14.74
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.
2J9C_A_ACTA1122_0
(HYPOTHETICAL
NITROGEN REGULATORY
PII-LIKE PROTEIN
MJ0059)		 3qvi HISTO-ASPARTIC
PROTEASE
(Plasmodium
falciparum) 		4 / 7 SER A  85
SER A  58
SER A  42
LYS A  44
 SER  A  85 ( 0.0A)
SER  A  58 ( 0.0A)
SER  A  42 ( 0.0A)
LYS  A  44 ( 0.0A)
 1.15A 2j9cA-3qviA:
undetectable
2j9cB-3qviA:
undetectable
2j9cC-3qviA:
undetectable		 2j9cA-3qviA:
14.74
2j9cB-3qviA:
14.74
2j9cC-3qviA:
14.74
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.
2J9C_C_ACTC1120_0
(HYPOTHETICAL
NITROGEN REGULATORY
PII-LIKE PROTEIN
MJ0059)		 4hne PHOSPHATIDYLINOSITOL
4-KINASE TYPE
2-ALPHA
(Homo
sapiens) 		3 / 3 LYS A 256
TYR A 138
PRO A 153
 LYS  A 256 ( 0.0A)
TYR  A 138 ( 1.3A)
PRO  A 153 ( 1.1A)
 1.30A 2j9cC-4hneA:
undetectable		 2j9cC-4hneA:
15.01
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.
2JIH_A_097A1001_1
(ADAMTS-1)		 6eom MUTT/NUDIX FAMILY
PROTEIN
(Caldithrix
abyssi) 		5 / 9 LEU A 318
THR A 376
HIS A 379
GLU A 380
HIS A 383
 LYS  A 606 ( 4.1A)
None
ZN  A 601 (-3.2A)
None
ZN  A 601 (-3.2A)
 0.64A 2jihA-6eomA:
undetectable		 2jihA-6eomA:
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.
2KOT_A_ANWA99_0
(PROTEIN S100-A13)		 5d7w SERRALYSIN
(Serratia
marcescens) 		4 / 7 THR A 103
PHE A 104
THR A 105
LYS A  90
 THR  A 103 ( 0.8A)
PHE  A 104 ( 1.3A)
THR  A 105 ( 0.8A)
LYS  A  90 ( 0.0A)
 1.02A 2kotA-5d7wA:
undetectable		 2kotA-5d7wA:
11.85
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.
2PGF_A_ADNA501_1
(ADENOSINE DEAMINASE)		 5xoy [LYSW]-LYSINE
HYDROLASE
(Thermus
thermophilus) 		5 / 12 HIS A 326
GLU A 124
HIS A  67
ASP A  91
ASP A 325
 None
LYS  A 401 (-3.0A)
None
None
None
 1.06A 2pgfA-5xoyA:
undetectable		 2pgfA-5xoyA:
21.53
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.
2PGR_A_DCFA501_1
(ADENOSINE DEAMINASE)		 5xoy [LYSW]-LYSINE
HYDROLASE
(Thermus
thermophilus) 		5 / 12 HIS A 326
GLU A 124
HIS A  67
ASP A  91
ASP A 325
 None
LYS  A 401 (-3.0A)
None
None
None
 1.07A 2pgrA-5xoyA:
undetectable		 2pgrA-5xoyA:
21.53
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.
2WEK_A_DIFA1376_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		 5ep8 PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE
(Bacillus
subtilis) 		4 / 8 LEU A 296
LEU A 102
LYS A 285
ALA A 286
 LEU  A 296 ( 0.5A)
LEU  A 102 ( 0.6A)
LYS  A 285 ( 0.0A)
ALA  A 286 ( 0.0A)
 1.00A 2wekA-5ep8A:
undetectable		 2wekA-5ep8A:
22.90
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.
2X8Z_A_X8ZA1615_1
(ANGIOTENSIN
CONVERTING ENZYME)		 4pj6 LEUCYL-CYSTINYL
AMINOPEPTIDASE
(Homo
sapiens) 		5 / 11 HIS A 464
GLU A 465
HIS A 468
GLU A 487
PHE A 550
 ZN  A1101 ( 3.2A)
LYS  A1102 (-3.4A)
ZN  A1101 (-3.2A)
ZN  A1101 ( 1.9A)
None
 1.33A 2x8zA-4pj6A:
6.4		 2x8zA-4pj6A:
23.11
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.
2X8Z_A_X8ZA1615_1
(ANGIOTENSIN
CONVERTING ENZYME)		 4pj6 LEUCYL-CYSTINYL
AMINOPEPTIDASE
(Homo
sapiens) 		5 / 11 HIS A 464
GLU A 465
HIS A 468
GLU A 487
TYR A 549
 ZN  A1101 ( 3.2A)
LYS  A1102 (-3.4A)
ZN  A1101 (-3.2A)
ZN  A1101 ( 1.9A)
None
 0.81A 2x8zA-4pj6A:
6.4		 2x8zA-4pj6A:
23.11
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.
2X91_A_LPRA1615_1
(ANGIOTENSIN
CONVERTING ENZYME)		 4pj6 LEUCYL-CYSTINYL
AMINOPEPTIDASE
(Homo
sapiens) 		5 / 12 HIS A 464
GLU A 465
HIS A 468
GLU A 487
TYR A 549
 ZN  A1101 ( 3.2A)
LYS  A1102 (-3.4A)
ZN  A1101 (-3.2A)
ZN  A1101 ( 1.9A)
None
 0.85A 2x91A-4pj6A:
4.0		 2x91A-4pj6A:
23.11
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.
2XPW_A_OTCA222_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		 3wev L-LYSINE 6-OXIDASE
(Marinomonas
mediterranea) 		5 / 12 LEU A 102
SER A 387
ASN A 529
PRO A 449
SER A 381
 None
None
None
LYS  A 801 (-4.4A)
None
 1.21A 2xpwA-3wevA:
undetectable		 2xpwA-3wevA:
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.
2Y7H_B_SAMB530_0
(TYPE I RESTRICTION
ENZYME ECOKI M
PROTEIN)		 2cdq ASPARTOKINASE
(Arabidopsis
thaliana) 		5 / 12 THR A 178
ILE A 187
GLY A 229
THR A  70
LEU A  73
 None
None
None
LYS  A 601 (-3.5A)
None
 1.03A 2y7hB-2cdqA:
undetectable		 2y7hB-2cdqA:
22.89
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.
2Y7H_C_SAMC530_0
(TYPE I RESTRICTION
ENZYME ECOKI M
PROTEIN)		 2cdq ASPARTOKINASE
(Arabidopsis
thaliana) 		5 / 12 THR A 178
ILE A 187
GLY A 229
THR A  70
LEU A  73
 None
None
None
LYS  A 601 (-3.5A)
None
 1.03A 2y7hC-2cdqA:
undetectable		 2y7hC-2cdqA:
22.89
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.
2YFB_B_ACTB501_0
(METHYL-ACCEPTING
CHEMOTAXIS
TRANSDUCER)		 5x7n DIAMINOPIMELATE
DECARBOXYLASE
(Corynebacterium
glutamicum) 		4 / 6 ARG A 343
ARG A 302
ILE A 260
TYR A 351
 LYS  A 505 (-4.3A)
LYS  A 505 ( 3.8A)
None
None
 1.15A 2yfbB-5x7nA:
undetectable		 2yfbB-5x7nA:
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.
2YVL_C_SAMC604_1
(HYPOTHETICAL PROTEIN)		 2cdq ASPARTOKINASE
(Arabidopsis
thaliana) 		4 / 4 GLY A 147
GLU A 148
ASP A 170
TYR A 118
 None
LYS  A 601 (-3.5A)
None
None
 1.44A 2yvlC-2cdqA:
undetectable		 2yvlC-2cdqA:
20.55
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.
2ZJ0_C_2FAC500_2
(ADENOSYLHOMOCYSTEINA
SE)		 6eom MUTT/NUDIX FAMILY
PROTEIN
(Caldithrix
abyssi) 		4 / 5 LEU A 318
GLN A 316
THR A 451
HIS A 460
 LYS  A 606 ( 4.1A)
NA  A 607 ( 4.9A)
None
None
 1.09A 2zj0C-6eomA:
undetectable		 2zj0C-6eomA:
11.31
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.
2ZW9_B_SAMB801_0
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		 5xoy [LYSW]-LYSINE
HYDROLASE
(Thermus
thermophilus) 		5 / 12 GLY A  88
ASP A  91
LEU A  16
LEU A  32
GLU A 125
 None
None
None
None
LYS  A 401 (-3.7A)
 1.15A 2zw9B-5xoyA:
undetectable		 2zw9B-5xoyA:
19.42
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.
3A6J_A_CRNA303_1
(CREATININE
AMIDOHYDROLASE)		 4pj6 LEUCYL-CYSTINYL
AMINOPEPTIDASE
(Homo
sapiens) 		4 / 8 GLU A 487
HIS A 464
HIS A 468
GLU A 465
 ZN  A1101 ( 1.9A)
ZN  A1101 ( 3.2A)
ZN  A1101 (-3.2A)
LYS  A1102 (-3.4A)
 0.82A 3a6jA-4pj6A:
undetectable		 3a6jA-4pj6A:
14.73
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.
3A6J_A_CRNA303_1
(CREATININE
AMIDOHYDROLASE)		 5a3y THERMOLYSIN
(Bacillus
thermoproteolyti
cus) 		5 / 8 GLU A 166
HIS A 142
HIS A 231
HIS A 146
GLU A 143
 ZN  A1317 (-2.3A)
ZN  A1317 (-3.2A)
LYS  A1323 (-3.6A)
ZN  A1317 (-3.2A)
VAL  A1322 (-3.2A)
 1.20A 3a6jA-5a3yA:
undetectable		 3a6jA-5a3yA:
18.27
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.
3A6J_A_CRNA303_1
(CREATININE
AMIDOHYDROLASE)		 5fxn THERMOLYSIN
(Bacillus
thermoproteolyti
cus) 		5 / 8 GLU A 166
HIS A 142
HIS A 231
HIS A 146
GLU A 143
 ZN  A1317 (-2.2A)
ZN  A1317 (-3.2A)
LYS  A1319 (-3.5A)
ZN  A1317 (-3.3A)
VAL  A1318 (-3.1A)
 1.17A 3a6jA-5fxnA:
undetectable		 3a6jA-5fxnA:
22.63
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.
3A6J_B_CRNB304_1
(CREATININE
AMIDOHYDROLASE)		 4pj6 LEUCYL-CYSTINYL
AMINOPEPTIDASE
(Homo
sapiens) 		4 / 7 GLU A 487
HIS A 464
HIS A 468
GLU A 465
 ZN  A1101 ( 1.9A)
ZN  A1101 ( 3.2A)
ZN  A1101 (-3.2A)
LYS  A1102 (-3.4A)
 0.80A 3a6jB-4pj6A:
undetectable		 3a6jB-4pj6A:
14.73
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.
3A6J_B_CRNB304_1
(CREATININE
AMIDOHYDROLASE)		 5a3y THERMOLYSIN
(Bacillus
thermoproteolyti
cus) 		5 / 7 GLU A 166
HIS A 142
HIS A 231
HIS A 146
GLU A 143
 ZN  A1317 (-2.3A)
ZN  A1317 (-3.2A)
LYS  A1323 (-3.6A)
ZN  A1317 (-3.2A)
VAL  A1322 (-3.2A)
 1.19A 3a6jB-5a3yA:
undetectable		 3a6jB-5a3yA:
18.27
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.
3A6J_B_CRNB304_1
(CREATININE
AMIDOHYDROLASE)		 5fxn THERMOLYSIN
(Bacillus
thermoproteolyti
cus) 		5 / 7 GLU A 166
HIS A 142
HIS A 231
HIS A 146
GLU A 143
 ZN  A1317 (-2.2A)
ZN  A1317 (-3.2A)
LYS  A1319 (-3.5A)
ZN  A1317 (-3.3A)
VAL  A1318 (-3.1A)
 1.16A 3a6jB-5fxnA:
undetectable		 3a6jB-5fxnA:
22.63
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.
3A6J_C_CRNC305_1
(CREATININE
AMIDOHYDROLASE)		 4pj6 LEUCYL-CYSTINYL
AMINOPEPTIDASE
(Homo
sapiens) 		4 / 8 GLU A 487
HIS A 464
HIS A 468
GLU A 465
 ZN  A1101 ( 1.9A)
ZN  A1101 ( 3.2A)
ZN  A1101 (-3.2A)
LYS  A1102 (-3.4A)
 0.81A 3a6jC-4pj6A:
undetectable		 3a6jC-4pj6A:
14.73
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.
3A6J_C_CRNC305_1
(CREATININE
AMIDOHYDROLASE)		 5a3y THERMOLYSIN
(Bacillus
thermoproteolyti
cus) 		5 / 8 GLU A 166
HIS A 142
HIS A 231
HIS A 146
GLU A 143
 ZN  A1317 (-2.3A)
ZN  A1317 (-3.2A)
LYS  A1323 (-3.6A)
ZN  A1317 (-3.2A)
VAL  A1322 (-3.2A)
 1.19A 3a6jC-5a3yA:
undetectable		 3a6jC-5a3yA:
18.27
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.
3A6J_C_CRNC305_1
(CREATININE
AMIDOHYDROLASE)		 5fxn THERMOLYSIN
(Bacillus
thermoproteolyti
cus) 		5 / 8 GLU A 166
HIS A 142
HIS A 231
HIS A 146
GLU A 143
 ZN  A1317 (-2.2A)
ZN  A1317 (-3.2A)
LYS  A1319 (-3.5A)
ZN  A1317 (-3.3A)
VAL  A1318 (-3.1A)
 1.16A 3a6jC-5fxnA:
undetectable		 3a6jC-5fxnA:
22.63
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.
3A6J_E_CRNE306_1
(CREATININE
AMIDOHYDROLASE)		 4pj6 LEUCYL-CYSTINYL
AMINOPEPTIDASE
(Homo
sapiens) 		4 / 8 GLU A 487
HIS A 464
HIS A 468
GLU A 465
 ZN  A1101 ( 1.9A)
ZN  A1101 ( 3.2A)
ZN  A1101 (-3.2A)
LYS  A1102 (-3.4A)
 0.84A 3a6jE-4pj6A:
undetectable		 3a6jE-4pj6A:
14.73
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.
3A6J_E_CRNE306_1
(CREATININE
AMIDOHYDROLASE)		 5a3y THERMOLYSIN
(Bacillus
thermoproteolyti
cus) 		5 / 8 GLU A 166
HIS A 142
HIS A 231
HIS A 146
GLU A 143
 ZN  A1317 (-2.3A)
ZN  A1317 (-3.2A)
LYS  A1323 (-3.6A)
ZN  A1317 (-3.2A)
VAL  A1322 (-3.2A)
 1.20A 3a6jE-5a3yA:
undetectable		 3a6jE-5a3yA:
18.27
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.
3A6J_E_CRNE306_1
(CREATININE
AMIDOHYDROLASE)		 5fxn THERMOLYSIN
(Bacillus
thermoproteolyti
cus) 		5 / 8 GLU A 166
HIS A 142
HIS A 231
HIS A 146
GLU A 143
 ZN  A1317 (-2.2A)
ZN  A1317 (-3.2A)
LYS  A1319 (-3.5A)
ZN  A1317 (-3.3A)
VAL  A1318 (-3.1A)
 1.17A 3a6jE-5fxnA:
undetectable		 3a6jE-5fxnA:
22.63
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.
3A6J_F_CRNF307_1
(CREATININE
AMIDOHYDROLASE)		 4pj6 LEUCYL-CYSTINYL
AMINOPEPTIDASE
(Homo
sapiens) 		4 / 8 GLU A 487
HIS A 464
HIS A 468
GLU A 465
 ZN  A1101 ( 1.9A)
ZN  A1101 ( 3.2A)
ZN  A1101 (-3.2A)
LYS  A1102 (-3.4A)
 0.81A 3a6jF-4pj6A:
undetectable		 3a6jF-4pj6A:
14.73
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.
3A6J_F_CRNF307_1
(CREATININE
AMIDOHYDROLASE)		 5a3y THERMOLYSIN
(Bacillus
thermoproteolyti
cus) 		5 / 8 GLU A 166
HIS A 142
HIS A 231
HIS A 146
GLU A 143
 ZN  A1317 (-2.3A)
ZN  A1317 (-3.2A)
LYS  A1323 (-3.6A)
ZN  A1317 (-3.2A)
VAL  A1322 (-3.2A)
 1.19A 3a6jF-5a3yA:
undetectable		 3a6jF-5a3yA:
18.27
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.
3A6J_F_CRNF307_1
(CREATININE
AMIDOHYDROLASE)		 5fxn THERMOLYSIN
(Bacillus
thermoproteolyti
cus) 		5 / 8 GLU A 166
HIS A 142
HIS A 231
HIS A 146
GLU A 143
 ZN  A1317 (-2.2A)
ZN  A1317 (-3.2A)
LYS  A1319 (-3.5A)
ZN  A1317 (-3.3A)
VAL  A1318 (-3.1A)
 1.16A 3a6jF-5fxnA:
undetectable		 3a6jF-5fxnA:
22.63
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.
3AF0_A_PAUA314_0
(PANTOTHENATE KINASE)		 4g41 MTA/SAH NUCLEOSIDASE
(Streptococcus
pyogenes) 		4 / 8 LYS A  52
GLY A  51
HIS A  98
TYR A  97
 LYS  A  52 ( 0.0A)
GLY  A  51 ( 0.0A)
HIS  A  98 ( 1.0A)
TYR  A  97 ( 1.3A)
 0.82A 3af0A-4g41A:
undetectable		 3af0A-4g41A:
22.22
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
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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ASN_P_CHDP1271_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1)		 5d7w SERRALYSIN
(Serratia
marcescens) 		4 / 7 LYS A  57
LEU A  58
PHE A  60
LEU A 182
 LYS  A  57 ( 0.0A)
LEU  A  58 ( 0.6A)
PHE  A  60 ( 1.3A)
LEU  A 182 ( 0.6A)
 0.99A 3asnP-5d7wA:
undetectable
3asnW-5d7wA:
undetectable		 3asnP-5d7wA:
19.92
3asnW-5d7wA:
8.16
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.
3ASO_P_CHDP1271_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1)		 5d7w SERRALYSIN
(Serratia
marcescens) 		4 / 7 LYS A  57
LEU A  58
PHE A  60
LEU A 182
 LYS  A  57 ( 0.0A)
LEU  A  58 ( 0.6A)
PHE  A  60 ( 1.3A)
LEU  A 182 ( 0.6A)
 0.99A 3asoP-5d7wA:
undetectable
3asoW-5d7wA:
undetectable		 3asoP-5d7wA:
19.92
3asoW-5d7wA:
8.16
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.
3BJW_G_SVRG506_3
(PHOSPHOLIPASE A2)		 1fgv H52 FV (LIGHT CHAIN)
(Homo
sapiens) 		3 / 3 PRO L   8
PHE L  83
LYS L 103
 PRO  L   8 ( 1.0A)
PHE  L  83 ( 1.3A)
LYS  L 103 ( 0.0A)
 1.25A 3bjwG-1fgvL:
0.0		 3bjwG-1fgvL:
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.
3CCF_A_BEZA261_0
(CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE)		 1bbu PROTEIN (LYSYL-TRNA
SYNTHETASE)
(Escherichia
coli) 		4 / 8 GLY A 425
ASN A 424
PHE A 416
ARG A 412
 LYS  A 505 ( 4.1A)
LYS  A 505 (-4.0A)
None
None
 1.32A 3ccfA-1bbuA:
undetectable		 3ccfA-1bbuA:
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.
3CE6_B_ADNB500_2
(ADENOSYLHOMOCYSTEINA
SE)		 6eom MUTT/NUDIX FAMILY
PROTEIN
(Caldithrix
abyssi) 		4 / 5 LEU A 318
GLN A 316
THR A 451
HIS A 460
 LYS  A 606 ( 4.1A)
NA  A 607 ( 4.9A)
None
None
 1.09A 3ce6B-6eomA:
undetectable		 3ce6B-6eomA:
11.13
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.
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.
3ELZ_A_CHDA152_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 3bpo INTERLEUKIN 13
(Homo
sapiens) 		3 / 3 VAL A  34
LYS A  89
HIS A  84
 VAL  A  34 ( 0.6A)
LYS  A  89 ( 0.0A)
HIS  A  84 ( 1.0A)
 0.94A 3elzA-3bpoA:
undetectable		 3elzA-3bpoA:
19.05
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.
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.
3F78_A_ICFA1_1
(INTEGRIN ALPHA-L)		 2vbf BRANCHED-CHAIN
ALPHA-KETOACID
DECARBOXYLASE
(Lactococcus
lactis) 		5 / 9 ILE A 450
TYR A 520
ILE A 522
LYS A 497
GLU A 511
 ILE  A 450 ( 0.7A)
TYR  A 520 ( 1.3A)
ILE  A 522 ( 0.6A)
LYS  A 497 ( 0.0A)
GLU  A 511 ( 0.6A)
 1.04A 3f78A-2vbfA:
3.8		 3f78A-2vbfA:
16.28
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.
3HEC_A_STIA1_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		 5d7a TRAF2 AND
NCK-INTERACTING
PROTEIN KINASE
(Homo
sapiens) 		5 / 12 VAL A  31
ALA A  52
LYS A  54
GLU A  69
LEU A  73
 VAL  A  31 (-0.6A)
ALA  A  52 (-0.0A)
LYS  A  54 ( 0.0A)
GLU  A  69 ( 0.6A)
LEU  A  73 ( 0.6A)
 0.48A 3hecA-5d7aA:
17.9		 3hecA-5d7aA:
25.56
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.
3HEG_A_BAXA1_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		 5d7a TRAF2 AND
NCK-INTERACTING
PROTEIN KINASE
(Homo
sapiens) 		6 / 12 VAL A  31
VAL A  39
ALA A  52
LYS A  54
GLU A  69
LEU A  73
 VAL  A  31 (-0.6A)
VAL  A  39 (-0.6A)
ALA  A  52 (-0.0A)
LYS  A  54 ( 0.0A)
GLU  A  69 ( 0.6A)
LEU  A  73 ( 0.6A)
 0.72A 3hegA-5d7aA:
21.7		 3hegA-5d7aA:
25.56
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.
3HRD_B_NIOB5661_1
(NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT)		 3l76 ASPARTOKINASE
(Synechocystis
sp.
PCC
6803) 		4 / 8 ILE A 493
ALA A 459
PHE A 376
ALA A 372
 None
THR  A 602 (-3.8A)
None
LYS  A 604 (-3.8A)
 0.86A 3hrdA-3l76A:
undetectable
3hrdB-3l76A:
undetectable		 3hrdA-3l76A:
23.20
3hrdB-3l76A:
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.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 2cdq ASPARTOKINASE
(Arabidopsis
thaliana) 		5 / 6 THR A 238
LEU A 235
GLY A 232
ALA A 299
PRO A 298
 None
None
LYS  A 601 (-3.6A)
None
None
 1.05A 3huoA-2cdqA:
undetectable		 3huoA-2cdqA:
20.20
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.
3HY7_A_097A801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		 6eom MUTT/NUDIX FAMILY
PROTEIN
(Caldithrix
abyssi) 		5 / 9 LEU A 318
THR A 376
HIS A 379
GLU A 380
HIS A 383
 LYS  A 606 ( 4.1A)
None
ZN  A 601 (-3.2A)
None
ZN  A 601 (-3.2A)
 0.52A 3hy7A-6eomA:
undetectable		 3hy7A-6eomA:
16.36
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.
3HY7_B_097B801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		 6eom MUTT/NUDIX FAMILY
PROTEIN
(Caldithrix
abyssi) 		5 / 9 LEU A 318
THR A 376
HIS A 379
GLU A 380
HIS A 383
 LYS  A 606 ( 4.1A)
None
ZN  A 601 (-3.2A)
None
ZN  A 601 (-3.2A)
 0.59A 3hy7B-6eomA:
undetectable		 3hy7B-6eomA:
16.36
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.
3K8M_A_ACRA720_1
(ALPHA-AMYLASE, SUSG)		 5fxn THERMOLYSIN
(Bacillus
thermoproteolyti
cus) 		4 / 7 TYR A 122
GLU A 119
LEU A 133
ASN A 112
 None
None
None
LYS  A1319 (-3.1A)
 1.23A 3k8mA-5fxnA:
undetectable		 3k8mA-5fxnA:
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.
3K8M_B_ACRB820_1
(ALPHA-AMYLASE, SUSG)		 5fxn THERMOLYSIN
(Bacillus
thermoproteolyti
cus) 		4 / 7 TYR A 122
GLU A 119
LEU A 133
ASN A 112
 None
None
None
LYS  A1319 (-3.1A)
 1.01A 3k8mB-5fxnA:
undetectable		 3k8mB-5fxnA:
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.
3KP2_B_PNNB5002_0
(TRANSCRIPTIONAL
REGULATOR TCAR)		 2hk0 D-PSICOSE
3-EPIMERASE
(Agrobacterium
tumefaciens) 		4 / 5 ASN A 177
ALA A 140
ALA A 137
LYS A  86
 ASN  A 177 ( 0.6A)
ALA  A 140 ( 0.0A)
ALA  A 137 ( 0.0A)
LYS  A  86 ( 0.0A)
 1.41A 3kp2B-2hk0A:
undetectable		 3kp2B-2hk0A:
19.61
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.
3KP3_B_AICB2002_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		 1fxj UDP-N-ACETYLGLUCOSAM
INE
PYROPHOSPHORYLASE
(Escherichia
coli) 		3 / 3 ALA A 178
ARG A 182
LYS A 186
 ALA  A 178 ( 0.0A)
ARG  A 182 ( 0.6A)
LYS  A 186 ( 0.0A)
 1.03A 3kp3B-1fxjA:
0.1		 3kp3B-1fxjA:
20.56
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.
3KP5_B_KANB2002_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		 1fxj UDP-N-ACETYLGLUCOSAM
INE
PYROPHOSPHORYLASE
(Escherichia
coli) 		3 / 3 ALA A 178
ARG A 182
LYS A 186
 ALA  A 178 ( 0.0A)
ARG  A 182 ( 0.6A)
LYS  A 186 ( 0.0A)
 0.57A 3kp5B-1fxjA:
0.0		 3kp5B-1fxjA:
20.56
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.
3LFA_A_1N1A361_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		 5d7a TRAF2 AND
NCK-INTERACTING
PROTEIN KINASE
(Homo
sapiens) 		5 / 8 VAL A  31
ALA A  52
LYS A  54
GLU A  69
LEU A 103
 VAL  A  31 (-0.6A)
ALA  A  52 (-0.0A)
LYS  A  54 ( 0.0A)
GLU  A  69 ( 0.6A)
LEU  A 103 ( 0.6A)
 0.57A 3lfaA-5d7aA:
22.0		 3lfaA-5d7aA:
24.60
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.
3LSL_A_PZIA802_0
(GLUTAMATE RECEPTOR 2)		 3ab4 ASPARTOKINASE
ASPARTOKINASE
(Corynebacterium
glutamicum;
Corynebacterium
glutamicum) 		3 / 3 ASP B  45
ASN B  43
SER A 381
 LYS  A 601 (-4.4A)
LYS  A 601 (-3.3A)
None
 0.91A 3lslA-3ab4B:
undetectable
3lslD-3ab4B:
undetectable		 3lslA-3ab4B:
21.67
3lslD-3ab4B:
21.67
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.
3LSL_D_PZID802_0
(GLUTAMATE RECEPTOR 2)		 3ab4 ASPARTOKINASE
ASPARTOKINASE
(Corynebacterium
glutamicum;
Corynebacterium
glutamicum) 		3 / 3 SER A 381
ASP B  45
ASN B  43
 None
LYS  A 601 (-4.4A)
LYS  A 601 (-3.3A)
 0.96A 3lslA-3ab4A:
undetectable
3lslD-3ab4A:
undetectable		 3lslA-3ab4A:
21.13
3lslD-3ab4A:
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.
3N2O_D_AG2D1002_1
(BIOSYNTHETIC
ARGININE
DECARBOXYLASE)		 5x7n DIAMINOPIMELATE
DECARBOXYLASE
(Corynebacterium
glutamicum) 		5 / 10 LYS A  75
HIS A 216
GLY A 218
ARG A 302
TYR A 404
 PLP  A 504 ( 1.2A)
PLP  A 504 (-3.5A)
None
LYS  A 505 ( 3.8A)
LYS  A 505 ( 3.7A)
 0.94A 3n2oC-5x7nA:
27.4
3n2oD-5x7nA:
27.5		 3n2oC-5x7nA:
8.24
3n2oD-5x7nA:
8.24
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.
3OG7_A_032A1_1
(AKAP9-BRAF FUSION
PROTEIN)		 5d7a TRAF2 AND
NCK-INTERACTING
PROTEIN KINASE
(Homo
sapiens) 		5 / 12 VAL A  39
ALA A  52
LYS A  54
LEU A  73
PHE A 172
 VAL  A  39 (-0.6A)
ALA  A  52 (-0.0A)
LYS  A  54 ( 0.0A)
LEU  A  73 ( 0.6A)
PHE  A 172 ( 1.3A)
 0.67A 3og7A-5d7aA:
25.5		 3og7A-5d7aA:
29.41
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.
3OHT_A_1N1A1000_1
(P38A)		 5d7a TRAF2 AND
NCK-INTERACTING
PROTEIN KINASE
(Homo
sapiens) 		6 / 12 VAL A  31
GLY A  32
VAL A  39
ALA A  52
LYS A  54
LEU A  73
 VAL  A  31 (-0.6A)
GLY  A  32 ( 0.0A)
VAL  A  39 (-0.6A)
ALA  A  52 (-0.0A)
LYS  A  54 ( 0.0A)
LEU  A  73 ( 0.6A)
 0.43A 3ohtA-5d7aA:
18.3		 3ohtA-5d7aA:
25.27
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.
3OHT_B_1N1B1000_1
(P38A)		 5d7a TRAF2 AND
NCK-INTERACTING
PROTEIN KINASE
(Homo
sapiens) 		6 / 12 GLY A  32
VAL A  39
ALA A  52
LYS A  54
LEU A  73
GLY A 111
 GLY  A  32 ( 0.0A)
VAL  A  39 (-0.6A)
ALA  A  52 (-0.0A)
LYS  A  54 ( 0.0A)
LEU  A  73 ( 0.6A)
GLY  A 111 (-0.0A)
 0.69A 3ohtB-5d7aA:
18.3		 3ohtB-5d7aA:
25.27
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.
3QG2_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3i6v PERIPLASMIC
HIS/GLU/GLN/ARG/OPIN
E FAMILY-BINDING
PROTEIN
(Ruegeria
pomeroyi) 		5 / 10 ILE A 258
ALA A 267
PHE A 262
SER A 119
TYR A 269
 None
None
None
LYS  A   1 (-2.8A)
None
 1.42A 3qg2A-3i6vA:
undetectable		 3qg2A-3i6vA:
15.09
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.
3SI7_A_ACTA5_0
(CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR)		 1szb MANNOSE BINDING
LECTIN-ASSOCIATED
SERINE PROTEASE-2
RELATED PROTEIN,
MAP19 (19KDA)
(Homo
sapiens) 		3 / 3 LYS A 110
SER A  79
GLN A  77
 LYS  A 110 ( 0.0A)
SER  A  79 ( 0.0A)
GLN  A  77 ( 0.6A)
 1.12A 3si7A-1szbA:
undetectable		 3si7A-1szbA:
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.
3SU9_A_ACTA426_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 4dlk PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE, ATPASE
SUBUNIT
(Bacillus
anthracis) 		3 / 3 GLN A 158
GLU A 182
LYS A 147
 GLN  A 158 (-0.6A)
GLU  A 182 (-0.6A)
LYS  A 147 (-0.0A)
 1.18A 3su9A-4dlkA:
undetectable		 3su9A-4dlkA:
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.
3SUD_D_SUED1201_2
(NS3 PROTEASE, NS4A
PROTEIN)		 5w6l RTX
REPEAT-CONTAINING
CYTOTOXIN
(Vibrio
vulnificus) 		4 / 5 TYR A3786
LEU A3958
LYS A3959
ARG A3933
 TYR  A3786 ( 1.3A)
LEU  A3958 ( 0.6A)
LYS  A3959 ( 0.0A)
ARG  A3933 ( 0.6A)
 1.36A 3sudD-5w6lA:
undetectable		 3sudD-5w6lA:
19.19
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.
3T7S_B_SAMB300_0
(PUTATIVE
METHYLTRANSFERASE)		 5fxn THERMOLYSIN
(Bacillus
thermoproteolyti
cus) 		5 / 12 GLN A 158
GLY A 228
ASP A 226
GLU A 160
ALA A 163
 None
None
LYS  A1319 ( 4.8A)
None
None
 1.33A 3t7sB-5fxnA:
undetectable		 3t7sB-5fxnA:
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.
3TPX_E_ACTE204_0
(E3 UBIQUITIN-PROTEIN
LIGASE MDM2)		 4mwt LYSOSOMAL PROTECTIVE
PROTEIN
(Homo
sapiens) 		3 / 3 LYS A 435
PRO A 436
LEU A 437
 LYS  A 435 ( 0.0A)
PRO  A 436 ( 1.1A)
LEU  A 437 ( 0.6A)
 0.68A 3tpxE-4mwtA:
undetectable		 3tpxE-4mwtA:
11.59
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.
3U88_A_CHDA611_0
(MENIN)		 1ng0 COAT PROTEIN
(Cocksfoot
mottle
virus) 		3 / 3 SER A 246
PHE A  64
LYS A 244
 SER  A 246 ( 0.0A)
PHE  A  64 ( 1.3A)
LYS  A 244 ( 0.0A)
 1.02A 3u88A-1ng0A:
undetectable		 3u88A-1ng0A:
19.66
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.
3UCB_B_017B202_1
(PROTEASE)		 3ghg FIBRINOGEN GAMMA
CHAIN
(Homo
sapiens) 		4 / 7 LYS C 273
ARG C 275
GLY C 268
PRO C 269
 LYS  C 273 ( 0.0A)
ARG  C 275 ( 0.6A)
GLY  C 268 ( 0.0A)
PRO  C 269 ( 1.1A)
 1.32A 3ucbB-3ghgC:
undetectable		 3ucbB-3ghgC:
12.71
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.
3UG2_A_IREA1_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 5d7a TRAF2 AND
NCK-INTERACTING
PROTEIN KINASE
(Homo
sapiens) 		7 / 12 VAL A  39
ALA A  52
LYS A  54
LEU A 103
MET A 105
GLY A 111
LEU A 160
 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)
 0.90A 3ug2A-5d7aA:
16.0		 3ug2A-5d7aA:
25.28
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.
3UR0_B_SVRB516_1
(RNA-DEPENDENT RNA
POLYMERASE)		 3l76 ASPARTOKINASE
(Synechocystis
sp.
PCC
6803) 		4 / 7 PRO A 369
GLY A 367
ALA A 498
ASP A 501
 LYS  A 604 ( 4.7A)
LYS  A 604 ( 4.5A)
None
None
 0.87A 3ur0B-3l76A:
2.1		 3ur0B-3l76A:
22.08
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.
3V5W_A_8PRA701_1
(G-PROTEIN COUPLED
RECEPTOR KINASE 2)		 3o96 RAC-ALPHA
SERINE/THREONINE-PRO
TEIN KINASE
(Homo
sapiens) 		6 / 12 GLY A 159
GLY A 162
VAL A 164
ALA A 177
LYS A 179
LEU A 181
 GLY  A 159 ( 0.0A)
GLY  A 162 ( 0.0A)
VAL  A 164 ( 0.6A)
ALA  A 177 ( 0.0A)
LYS  A 179 ( 0.0A)
LEU  A 181 ( 0.6A)
 0.58A 3v5wA-3o96A:
29.3		 3v5wA-3o96A:
25.76
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.
3W1W_B_CHDB504_0
(FERROCHELATASE,
MITOCHONDRIAL)		 4pfm 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE
(Shewanella
benthica) 		5 / 12 LEU A  95
ILE A 128
GLN A 130
HIS A  56
VAL A  19
 None
None
None
LYS  A 301 (-3.9A)
None
 1.36A 3w1wB-4pfmA:
2.0		 3w1wB-4pfmA:
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.
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.
3WZE_A_BAXA1201_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 5d7a TRAF2 AND
NCK-INTERACTING
PROTEIN KINASE
(Homo
sapiens) 		8 / 12 VAL A  39
ALA A  52
LYS A  54
LEU A  73
PHE A 107
GLY A 111
LEU A 144
HIS A 151
 VAL  A  39 (-0.6A)
ALA  A  52 (-0.0A)
LYS  A  54 ( 0.0A)
LEU  A  73 ( 0.6A)
PHE  A 107 ( 1.3A)
GLY  A 111 (-0.0A)
LEU  A 144 ( 0.6A)
HIS  A 151 ( 1.0A)
 0.71A 3wzeA-5d7aA:
8.8		 3wzeA-5d7aA:
28.07
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.
4ASD_A_BAXA1500_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 5d7a TRAF2 AND
NCK-INTERACTING
PROTEIN KINASE
(Homo
sapiens) 		9 / 12 VAL A  39
ALA A  52
LYS A  54
GLU A  69
LEU A  73
PHE A 107
GLY A 111
LEU A 144
HIS A 151
 VAL  A  39 (-0.6A)
ALA  A  52 (-0.0A)
LYS  A  54 ( 0.0A)
GLU  A  69 ( 0.6A)
LEU  A  73 ( 0.6A)
PHE  A 107 ( 1.3A)
GLY  A 111 (-0.0A)
LEU  A 144 ( 0.6A)
HIS  A 151 ( 1.0A)
 0.79A 4asdA-5d7aA:
10.1		 4asdA-5d7aA:
26.26
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.
4BQF_A_QPSA951_1
(ALPHA-GLUCAN
PHOSPHORYLASE 2,
CYTOSOLIC)		 3a9i HOMOCITRATE SYNTHASE
(Thermus
thermophilus) 		4 / 6 GLY A 196
ARG A  12
GLU A 227
ARG A 228
 None
LYS  A 378 (-3.4A)
None
None
 1.39A 4bqfA-3a9iA:
undetectable		 4bqfA-3a9iA:
19.52
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.
4C2P_A_X8ZA709_1
(ANGIOTENSIN-CONVERTI
NG ENZYME)		 4pj6 LEUCYL-CYSTINYL
AMINOPEPTIDASE
(Homo
sapiens) 		5 / 11 HIS A 464
GLU A 465
HIS A 468
GLU A 487
PHE A 550
 ZN  A1101 ( 3.2A)
LYS  A1102 (-3.4A)
ZN  A1101 (-3.2A)
ZN  A1101 ( 1.9A)
None
 1.33A 4c2pA-4pj6A:
5.6		 4c2pA-4pj6A:
21.46
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.
4C2P_A_X8ZA709_1
(ANGIOTENSIN-CONVERTI
NG ENZYME)		 4pj6 LEUCYL-CYSTINYL
AMINOPEPTIDASE
(Homo
sapiens) 		5 / 11 HIS A 464
GLU A 465
HIS A 468
GLU A 487
TYR A 549
 ZN  A1101 ( 3.2A)
LYS  A1102 (-3.4A)
ZN  A1101 (-3.2A)
ZN  A1101 ( 1.9A)
None
 0.84A 4c2pA-4pj6A:
5.6		 4c2pA-4pj6A:
21.46
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.
4C8B_B_0LIB1000_1
(RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2)		 5d7a TRAF2 AND
NCK-INTERACTING
PROTEIN KINASE
(Homo
sapiens) 		7 / 12 ALA A  52
LYS A  54
GLU A  69
LEU A  73
ILE A  82
HIS A 151
LEU A 160
 ALA  A  52 (-0.0A)
LYS  A  54 ( 0.0A)
GLU  A  69 ( 0.6A)
LEU  A  73 ( 0.6A)
ILE  A  82 ( 0.7A)
HIS  A 151 ( 1.0A)
LEU  A 160 (-0.6A)
 0.91A 4c8bB-5d7aA:
25.6		 4c8bB-5d7aA:
25.14
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.
4CPN_B_ZMRB700_1
(NEURAMINIDASE)		 5zh5 LYSINE--TRNA LIGASE
(Plasmodium
falciparum) 		5 / 12 GLU A 308
ARG A 304
GLU A 346
GLU A 324
TYR A 348
 LYS  A 601 (-3.1A)
None
LYS  A 601 (-3.1A)
None
LYS  A 601 (-4.3A)
 1.39A 4cpnB-5zh5A:
undetectable		 4cpnB-5zh5A:
10.90
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.
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.
4EJJ_D_NCTD501_1
(CYTOCHROME P450 2A6)		 5zh5 LYSINE--TRNA LIGASE
(Plasmodium
falciparum) 		4 / 7 PHE A 364
GLY A 554
ILE A 325
LEU A 265
 None
LYS  A 601 ( 3.8A)
None
None
 0.86A 4ejjD-5zh5A:
undetectable		 4ejjD-5zh5A:
11.92
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.
4EYZ_A_CCSA109_0
(CELLULOSOME-RELATED
PROTEIN MODULE FROM
RUMINOCOCCUS
FLAVEFACIENS THAT
RESEMBLES
PAPAIN-LIKE CYSTEINE
PEPTIDASES)		 3kw0 CYSTEINE PEPTIDASE
(Bacillus
cereus) 		4 / 8 PHE A 157
VAL A 158
HIS A  49
SER A  65
 None
None
LYS  A 201 (-3.9A)
None
 0.35A 4eyzA-3kw0A:
1.2		 4eyzA-3kw0A:
23.46
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.
4EYZ_B_CCSB109_0
(CELLULOSOME-RELATED
PROTEIN MODULE FROM
RUMINOCOCCUS
FLAVEFACIENS THAT
RESEMBLES
PAPAIN-LIKE CYSTEINE
PEPTIDASES)		 3kw0 CYSTEINE PEPTIDASE
(Bacillus
cereus) 		4 / 8 PHE A 157
VAL A 158
HIS A  49
SER A  65
 None
None
LYS  A 201 (-3.9A)
None
 0.33A 4eyzB-3kw0A:
undetectable		 4eyzB-3kw0A:
23.46
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.
4FGJ_A_1PQA304_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 3ab4 ASPARTOKINASE
ASPARTOKINASE
(Corynebacterium
glutamicum;
Corynebacterium
glutamicum) 		4 / 8 ILE A 385
GLY A 359
ASN B  43
GLU A 363
 None
LYS  A 601 ( 4.7A)
LYS  A 601 (-3.3A)
None
 1.01A 4fgjA-3ab4A:
2.5
4fgjB-3ab4A:
2.6		 4fgjA-3ab4A:
18.40
4fgjB-3ab4A:
18.40
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.
4HBF_A_DXCA75_0
(PPCA)		 4zke SUPERKILLER PROTEIN
7
(Saccharomyces
cerevisiae) 		4 / 7 ILE A 744
LEU A 717
LYS A 626
GLY A 627
 ILE  A 744 ( 0.7A)
LEU  A 717 ( 0.6A)
LYS  A 626 ( 0.0A)
GLY  A 627 ( 0.0A)
 1.05A 4hbfA-4zkeA:
undetectable		 4hbfA-4zkeA:
7.55
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.
4HVR_A_SALA203_1
(3-HYDROXYANTHRANILAT
E 3,4-DIOXYGENASE)		 5xoy [LYSW]-LYSINE
HYDROLASE
(Thermus
thermophilus) 		4 / 7 ASP A  91
GLU A 125
HIS A 326
GLU A 124
 None
LYS  A 401 (-3.7A)
None
LYS  A 401 (-3.0A)
 0.96A 4hvrA-5xoyA:
undetectable		 4hvrA-5xoyA:
18.01
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.
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.
4IFX_A_ACTA404_0
(THIAMINE
BIOSYNTHESIS
LIPOPROTEIN APBE)		 4urs DIGUANYLATE CYCLASE
(Thermotoga
maritima) 		4 / 5 SER A 150
LYS A 147
ARG A 165
LEU A  96
 SER  A 150 ( 0.0A)
LYS  A 147 ( 0.0A)
ARG  A 165 ( 0.6A)
LEU  A  96 ( 0.6A)
 1.31A 4ifxA-4ursA:
1.2		 4ifxA-4ursA:
19.77
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.
4IG1_A_ACTA504_0
(FAD:PROTEIN FMN
TRANSFERASE)		 4urs DIGUANYLATE CYCLASE
(Thermotoga
maritima) 		4 / 5 SER A 150
LYS A 147
ARG A 165
LEU A  96
 SER  A 150 ( 0.0A)
LYS  A 147 ( 0.0A)
ARG  A 165 ( 0.6A)
LEU  A  96 ( 0.6A)
 1.29A 4ig1A-4ursA:
undetectable		 4ig1A-4ursA:
19.77
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.
4IR0_A_FCNA202_1
(METALLOTHIOL
TRANSFERASE FOSB 2)		 5fxn THERMOLYSIN
(Bacillus
thermoproteolyti
cus) 		5 / 11 HIS A 231
TYR A 157
GLU A 166
HIS A 142
ASN A 112
 LYS  A1319 (-3.5A)
None
ZN  A1317 (-2.2A)
ZN  A1317 (-3.2A)
LYS  A1319 (-3.1A)
 1.44A 4ir0A-5fxnA:
undetectable
4ir0B-5fxnA:
undetectable		 4ir0A-5fxnA:
17.10
4ir0B-5fxnA:
17.10
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.
4JD1_B_FCNB203_1
(METALLOTHIOL
TRANSFERASE FOSB 2)		 5fxn THERMOLYSIN
(Bacillus
thermoproteolyti
cus) 		5 / 12 HIS A 142
ASN A 112
HIS A 231
TYR A 157
GLU A 166
 ZN  A1317 (-3.2A)
LYS  A1319 (-3.1A)
LYS  A1319 (-3.5A)
None
ZN  A1317 (-2.2A)
 1.44A 4jd1A-5fxnA:
undetectable
4jd1B-5fxnA:
undetectable		 4jd1A-5fxnA:
17.10
4jd1B-5fxnA:
17.10
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.
4JH3_A_FCNA204_1
(METALLOTHIOL
TRANSFERASE FOSB)		 5fxn THERMOLYSIN
(Bacillus
thermoproteolyti
cus) 		5 / 12 HIS A 231
TYR A 157
GLU A 166
HIS A 142
ASN A 112
 LYS  A1319 (-3.5A)
None
ZN  A1317 (-2.2A)
ZN  A1317 (-3.2A)
LYS  A1319 (-3.1A)
 1.48A 4jh3A-5fxnA:
undetectable
4jh3B-5fxnA:
undetectable		 4jh3A-5fxnA:
16.45
4jh3B-5fxnA:
16.45
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.
4JH3_B_FCNB203_1
(METALLOTHIOL
TRANSFERASE FOSB)		 5fxn THERMOLYSIN
(Bacillus
thermoproteolyti
cus) 		5 / 11 HIS A 142
ASN A 112
HIS A 231
TYR A 157
GLU A 166
 ZN  A1317 (-3.2A)
LYS  A1319 (-3.1A)
LYS  A1319 (-3.5A)
None
ZN  A1317 (-2.2A)
 1.46A 4jh3A-5fxnA:
undetectable
4jh3B-5fxnA:
undetectable		 4jh3A-5fxnA:
16.45
4jh3B-5fxnA:
16.45
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.
4JH4_A_FCNA202_1
(METALLOTHIOL
TRANSFERASE FOSB)		 5fxn THERMOLYSIN
(Bacillus
thermoproteolyti
cus) 		5 / 11 HIS A 231
TYR A 157
GLU A 166
HIS A 142
ASN A 112
 LYS  A1319 (-3.5A)
None
ZN  A1317 (-2.2A)
ZN  A1317 (-3.2A)
LYS  A1319 (-3.1A)
 1.49A 4jh4A-5fxnA:
undetectable
4jh4B-5fxnA:
undetectable		 4jh4A-5fxnA:
16.45
4jh4B-5fxnA:
16.45
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.
4JH5_A_FCNA202_1
(METALLOTHIOL
TRANSFERASE FOSB)		 5fxn THERMOLYSIN
(Bacillus
thermoproteolyti
cus) 		5 / 11 HIS A 231
TYR A 157
GLU A 166
HIS A 142
ASN A 112
 LYS  A1319 (-3.5A)
None
ZN  A1317 (-2.2A)
ZN  A1317 (-3.2A)
LYS  A1319 (-3.1A)
 1.46A 4jh5A-5fxnA:
undetectable
4jh5B-5fxnA:
undetectable		 4jh5A-5fxnA:
16.45
4jh5B-5fxnA:
16.45
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.
4JH5_B_FCNB203_1
(METALLOTHIOL
TRANSFERASE FOSB)		 5fxn THERMOLYSIN
(Bacillus
thermoproteolyti
cus) 		5 / 11 HIS A 142
ASN A 112
HIS A 231
TYR A 157
GLU A 166
 ZN  A1317 (-3.2A)
LYS  A1319 (-3.1A)
LYS  A1319 (-3.5A)
None
ZN  A1317 (-2.2A)
 1.49A 4jh5A-5fxnA:
undetectable
4jh5B-5fxnA:
undetectable		 4jh5A-5fxnA:
16.45
4jh5B-5fxnA:
16.45
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.
4JVL_A_ESTA702_1
(ESTROGEN
SULFOTRANSFERASE)		 1bbu PROTEIN (LYSYL-TRNA
SYNTHETASE)
(Escherichia
coli) 		4 / 9 TYR A 280
PHE A 426
ILE A 476
MET A 276
 LYS  A 505 (-4.6A)
LYS  A 505 (-3.7A)
None
LYS  A 505 ( 4.9A)
 1.19A 4jvlA-1bbuA:
0.0		 4jvlA-1bbuA:
19.26
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.
4JVL_A_ESTA702_1
(ESTROGEN
SULFOTRANSFERASE)		 4ex5 LYSINE--TRNA LIGASE
(Burkholderia
thailandensis) 		4 / 9 TYR A 280
PHE A 430
ILE A 480
MET A 276
 LYS  A 601 (-4.5A)
LYS  A 601 (-3.5A)
None
None
 1.28A 4jvlA-4ex5A:
undetectable		 4jvlA-4ex5A:
18.95
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.
4K87_A_ADNA602_1
(PROLINE--TRNA LIGASE)		 1bbu PROTEIN (LYSYL-TRNA
SYNTHETASE)
(Escherichia
coli) 		4 / 8 ARG A 262
PHE A 274
GLY A 423
ARG A 480
 LYS  A 505 (-4.0A)
None
None
None
 0.51A 4k87A-1bbuA:
10.7		 4k87A-1bbuA:
22.55
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.
4K87_A_ADNA602_1
(PROLINE--TRNA LIGASE)		 4dpg LYSINE--TRNA LIGASE
(Homo
sapiens) 		4 / 8 ARG A 323
PHE A 335
GLY A 548
THR A 337
 APC  A 602 (-3.1A)
APC  A 602 (-3.8A)
LYS  A 601 ( 4.0A)
None
 0.98A 4k87A-4dpgA:
11.3		 4k87A-4dpgA:
22.74
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.
4K87_A_ADNA602_1
(PROLINE--TRNA LIGASE)		 5vl1 LYSINE--TRNA LIGASE
(Mycobacterium
ulcerans) 		4 / 8 ARG A 255
PHE A 267
THR A 418
ARG A 474
 LYS  A 502 (-3.3A)
PGE  A 501 (-3.6A)
PGE  A 501 (-4.2A)
PGE  A 501 (-3.6A)
 0.73A 4k87A-5vl1A:
11.4		 4k87A-5vl1A:
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.
4K87_A_ADNA602_1
(PROLINE--TRNA LIGASE)		 6aqh LYSINE--TRNA LIGASE
(Mycolicibacteriu
m
thermoresistibil
e) 		4 / 8 ARG A 258
PHE A 270
THR A 422
ARG A 478
 LYS  A 601 ( 3.4A)
KRS  A 602 (-3.5A)
LYS  A 601 ( 4.3A)
KRS  A 602 (-3.5A)
 0.75A 4k87A-6aqhA:
11.3		 4k87A-6aqhA:
24.21
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.
4LAX_A_FK5A301_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4)		 5wpi HSVA
(Erwinia
amylovora) 		5 / 10 TYR A 296
PHE A  58
VAL A  40
ILE A  38
LYS A  74
 TYR  A 296 ( 1.3A)
PHE  A  58 ( 1.3A)
VAL  A  40 ( 0.5A)
ILE  A  38 ( 0.7A)
LYS  A  74 ( 0.0A)
 1.20A 4laxA-5wpiA:
undetectable		 4laxA-5wpiA:
23.29
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.
4LB2_A_DM5A601_1
(SERUM ALBUMIN)		 5svd NUCLEOLAR PROTEIN 9
(Saccharomyces
cerevisiae) 		4 / 7 LEU A 406
VAL A 409
LYS A 433
TYR A 497
 LEU  A 406 ( 0.5A)
VAL  A 409 ( 0.6A)
LYS  A 433 ( 0.0A)
TYR  A 497 ( 1.3A)
 1.13A 4lb2A-5svdA:
undetectable		 4lb2A-5svdA:
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.
4MA8_C_Z80C301_1
(MAJOR PRION PROTEIN)		 1l4a S-SNAP25 FUSION
PROTEIN
SYNAPTOBREVIN
(Doryteuthis
pealeii) 		4 / 5 LEU C  60
GLY C  57
ILE A  69
LYS A  68
 LEU  C  60 ( 0.6A)
GLY  C  57 ( 0.0A)
ILE  A  69 ( 0.7A)
LYS  A  68 ( 0.0A)
 1.11A 4ma8C-1l4aC:
undetectable		 4ma8C-1l4aC:
16.35
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.
4MWZ_B_CQAB303_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 5ep8 PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE
(Bacillus
subtilis) 		4 / 8 GLY A  88
LEU A 251
GLU A 252
LYS A 254
 GLY  A  88 ( 0.0A)
LEU  A 251 ( 0.6A)
GLU  A 252 ( 0.6A)
LYS  A 254 ( 0.0A)
 0.62A 4mwzB-5ep8A:
undetectable		 4mwzB-5ep8A:
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.
4MWZ_B_CQAB303_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 5l5n PLEXIN-A4
(Mus
musculus) 		4 / 8 GLY A 804
GLU A 808
LEU A 812
LYS A 815
 GLY  A 804 ( 0.0A)
GLU  A 808 ( 0.5A)
LEU  A 812 ( 0.5A)
LYS  A 815 ( 0.0A)
 0.78A 4mwzB-5l5nA:
undetectable		 4mwzB-5l5nA:
12.80
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.
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.
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.
4PQA_A_X8ZA401_1
(SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE)		 5xoy [LYSW]-LYSINE
HYDROLASE
(Thermus
thermophilus) 		7 / 11 HIS A  67
ASP A  91
GLU A 124
GLU A 125
GLU A 148
GLY A 299
HIS A 326
 None
None
LYS  A 401 (-3.0A)
LYS  A 401 (-3.7A)
None
LYS  A 401 ( 4.1A)
None
 0.61A 4pqaA-5xoyA:
33.4		 4pqaA-5xoyA:
26.29
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.
4R7L_A_SHHA709_1
(LEUKOTRIENE A-4
HYDROLASE)		 4pj6 LEUCYL-CYSTINYL
AMINOPEPTIDASE
(Homo
sapiens) 		6 / 12 HIS A 464
GLU A 465
HIS A 468
TRP A 480
GLU A 487
TYR A 549
 ZN  A1101 ( 3.2A)
LYS  A1102 (-3.4A)
ZN  A1101 (-3.2A)
None
ZN  A1101 ( 1.9A)
None
 0.79A 4r7lA-4pj6A:
42.6		 4r7lA-4pj6A:
24.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RZV_B_032B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 5d7a TRAF2 AND
NCK-INTERACTING
PROTEIN KINASE
(Homo
sapiens) 		5 / 12 VAL A  39
ALA A  52
LYS A  54
SER A 112
PHE A 172
 VAL  A  39 (-0.6A)
ALA  A  52 (-0.0A)
LYS  A  54 ( 0.0A)
SER  A 112 (-0.0A)
PHE  A 172 ( 1.3A)
 0.65A 4rzvB-5d7aA:
25.4		 4rzvB-5d7aA:
31.15
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.
4UCI_B_ADNB2415_1
(RNA-DIRECTED RNA
POLYMERASE L)		 1txu RAB5 GDP/GTP
EXCHANGE FACTOR
(Homo
sapiens) 		4 / 7 PHE A 145
PHE A 142
LYS A 213
TYR A 214
 PHE  A 145 ( 1.3A)
PHE  A 142 ( 1.3A)
LYS  A 213 ( 0.0A)
TYR  A 214 ( 1.3A)
 1.42A 4uciB-1txuA:
0.0		 4uciB-1txuA:
20.70
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.
4UCK_B_SAMB2409_0
(RNA-DIRECTED RNA
POLYMERASE L)		 5ep8 PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE
(Bacillus
subtilis) 		5 / 12 GLY A  88
GLY A  86
LEU A 251
THR A 396
LYS A 383
 GLY  A  88 ( 0.0A)
GLY  A  86 ( 0.0A)
LEU  A 251 ( 0.6A)
THR  A 396 ( 0.8A)
LYS  A 383 ( 0.0A)
 1.09A 4uckB-5ep8A:
undetectable		 4uckB-5ep8A:
22.52
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.
4X5I_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 5xoy [LYSW]-LYSINE
HYDROLASE
(Thermus
thermophilus) 		3 / 3 ASP A  69
ARG A 216
ARG A 162
 None
None
LYS  A 401 (-4.4A)
 0.81A 4x5iA-5xoyA:
undetectable		 4x5iA-5xoyA:
17.91
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.
4XI3_D_29SD601_2
(ESTROGEN RECEPTOR)		 2a5h L-LYSINE
2,3-AMINOMUTASE
(Clostridium
subterminale) 		3 / 3 LEU A 261
ASP A 293
ILE A 309
 None
LYS  A 420 ( 3.2A)
None
 0.55A 4xi3D-2a5hA:
undetectable		 4xi3D-2a5hA:
21.03
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.
4XQE_B_AG2B505_1
(HOMOSPERMIDINE
SYNTHASE)		 3a9i HOMOCITRATE SYNTHASE
(Thermus
thermophilus) 		4 / 6 ARG A  12
ASP A  92
VAL A 218
ASP A 219
 LYS  A 378 (-3.4A)
LYS  A 378 (-3.3A)
None
None
 1.37A 4xqeB-3a9iA:
undetectable		 4xqeB-3a9iA:
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.
4Y0Q_A_PX9A201_1
(BETA-LACTOGLOBULIN)		 2vbf BRANCHED-CHAIN
ALPHA-KETOACID
DECARBOXYLASE
(Lactococcus
lactis) 		3 / 3 LYS A 419
ILE A 416
ILE A  44
 LYS  A 419 ( 0.0A)
ILE  A 416 ( 0.7A)
ILE  A  44 ( 0.7A)
 0.73A 4y0qA-2vbfA:
undetectable		 4y0qA-2vbfA:
14.72
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.
4YSH_B_GLYB401_0
(GLYCINE OXIDASE)		 3ig0 DNA GYRASE SUBUNIT B
(Mycobacterium
tuberculosis) 		4 / 6 LYS A 521
GLY A 510
TYR A 524
ALA A 508
 LYS  A 521 ( 0.0A)
GLY  A 510 ( 0.0A)
TYR  A 524 ( 1.3A)
ALA  A 508 ( 0.0A)
 1.00A 4yshB-3ig0A:
undetectable		 4yshB-3ig0A:
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.
4ZBR_A_ACTA608_0
(SERUM ALBUMIN)		 2ixq PROTEIN AFAD
(Escherichia
coli) 		3 / 3 LYS A  57
ARG A  60
HIS A  61
 LYS  A  57 ( 0.0A)
ARG  A  60 ( 0.6A)
HIS  A  61 ( 1.0A)
 1.06A 4zbrA-2ixqA:
undetectable		 4zbrA-2ixqA:
12.52
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.
4ZJO_A_ERYA1101_0
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		 1bbu PROTEIN (LYSYL-TRNA
SYNTHETASE)
(Escherichia
coli) 		5 / 12 ASN A 424
ALA A 218
GLU A 428
GLU A 240
LEU A 241
 LYS  A 505 (-4.0A)
None
LYS  A 505 (-3.0A)
LYS  A 505 (-2.9A)
None
 1.29A 4zjoA-1bbuA:
0.0		 4zjoA-1bbuA:
20.31
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.
4ZJO_A_ERYA1101_0
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		 4ex5 LYSINE--TRNA LIGASE
(Burkholderia
thailandensis) 		5 / 12 ASN A 428
ALA A 218
GLU A 432
GLU A 240
LEU A 241
 LYS  A 601 (-3.1A)
None
LYS  A 601 (-2.7A)
LYS  A 601 (-2.8A)
None
 1.40A 4zjoA-4ex5A:
1.0		 4zjoA-4ex5A:
21.03
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.
4ZOW_A_CLMA500_0
(MULTIDRUG
TRANSPORTER MDFA)		 2a5h L-LYSINE
2,3-AMINOMUTASE
(Clostridium
subterminale) 		6 / 11 MET A 218
LEU A 215
LEU A 248
LEU A 167
LEU A 181
ILE A 185
 None
None
None
LYS  A 420 (-4.7A)
None
None
 1.00A 4zowA-2a5hA:
undetectable		 4zowA-2a5hA:
20.27
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.
5DBY_A_ACTA610_0
(SERUM ALBUMIN)		 2ff0 STEROIDOGENIC FACTOR
1
(Mus
musculus) 		3 / 3 TYR A  25
LYS A  38
LYS A  34
 TYR  A  25 ( 1.3A)
LYS  A  38 ( 0.0A)
LYS  A  34 ( 0.0A)
 0.98A 5dbyA-2ff0A:
undetectable		 5dbyA-2ff0A:
10.12
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.
5EEV_L_TRPL101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3k4u BINDING COMPONENT OF
ABC TRANSPORTER
(Wolinella
succinogenes) 		4 / 8 THR A  71
GLY A  90
ALA A 124
THR A 185
 LYS  A 501 (-4.2A)
None
None
None
 0.84A 5eevL-3k4uA:
undetectable
5eevV-3k4uA:
undetectable		 5eevL-3k4uA:
19.60
5eevV-3k4uA:
19.60
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.
5EEW_L_TRPL101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3k4u BINDING COMPONENT OF
ABC TRANSPORTER
(Wolinella
succinogenes) 		4 / 8 THR A  71
GLY A  90
ALA A 124
THR A 185
 LYS  A 501 (-4.2A)
None
None
None
 0.84A 5eewL-3k4uA:
undetectable
5eewV-3k4uA:
undetectable		 5eewL-3k4uA:
19.60
5eewV-3k4uA:
19.60
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.
5EEZ_L_TRPL101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3k4u BINDING COMPONENT OF
ABC TRANSPORTER
(Wolinella
succinogenes) 		4 / 8 THR A  71
GLY A  90
ALA A 124
THR A 185
 LYS  A 501 (-4.2A)
None
None
None
 0.84A 5eezL-3k4uA:
undetectable
5eezV-3k4uA:
undetectable		 5eezL-3k4uA:
19.60
5eezV-3k4uA:
19.60
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.
5EF1_L_TRPL101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3k4u BINDING COMPONENT OF
ABC TRANSPORTER
(Wolinella
succinogenes) 		4 / 8 THR A  71
GLY A  90
ALA A 124
THR A 185
 LYS  A 501 (-4.2A)
None
None
None
 0.84A 5ef1L-3k4uA:
undetectable
5ef1V-3k4uA:
undetectable		 5ef1L-3k4uA:
19.60
5ef1V-3k4uA:
19.60
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.
5EF2_L_TRPL101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3k4u BINDING COMPONENT OF
ABC TRANSPORTER
(Wolinella
succinogenes) 		4 / 8 THR A  71
GLY A  90
ALA A 124
THR A 185
 LYS  A 501 (-4.2A)
None
None
None
 0.84A 5ef2L-3k4uA:
undetectable
5ef2V-3k4uA:
undetectable		 5ef2L-3k4uA:
19.60
5ef2V-3k4uA:
19.60
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.
5EF3_L_TRPL101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3k4u BINDING COMPONENT OF
ABC TRANSPORTER
(Wolinella
succinogenes) 		4 / 8 THR A  71
GLY A  90
ALA A 124
THR A 185
 LYS  A 501 (-4.2A)
None
None
None
 0.84A 5ef3L-3k4uA:
undetectable
5ef3V-3k4uA:
undetectable		 5ef3L-3k4uA:
19.60
5ef3V-3k4uA:
19.60
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.
5ENT_C_MIYC901_1
(MULTIDRUG EFFLUX
PUMP SUBUNIT
ACRB,MULTIDRUG
EFFLUX PUMP SUBUNIT
ACRB)		 3l76 ASPARTOKINASE
(Synechocystis
sp.
PCC
6803) 		5 / 9 SER A 207
SER A 564
GLU A 204
ILE A 532
ALA A 544
 None
None
None
None
LYS  A 603 (-3.9A)
 1.41A 5entC-3l76A:
5.8		 5entC-3l76A:
23.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HI2_A_BAXA801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 5d7a TRAF2 AND
NCK-INTERACTING
PROTEIN KINASE
(Homo
sapiens) 		6 / 12 ALA A  52
LYS A  54
GLU A  69
LEU A  73
LEU A 144
HIS A 151
 ALA  A  52 (-0.0A)
LYS  A  54 ( 0.0A)
GLU  A  69 ( 0.6A)
LEU  A  73 ( 0.6A)
LEU  A 144 ( 0.6A)
HIS  A 151 ( 1.0A)
 0.92A 5hi2A-5d7aA:
24.7		 5hi2A-5d7aA:
31.43
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.
5IEN_A_VDYA201_1
(CDL2.2)		 2cdq ASPARTOKINASE
(Arabidopsis
thaliana) 		5 / 12 LEU A 119
ILE A 211
THR A  69
ALA A  65
LEU A  63
 None
None
None
LYS  A 601 (-3.9A)
None
 1.12A 5ienA-2cdqA:
undetectable		 5ienA-2cdqA:
13.96
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.
5IEN_B_VDYB201_2
(CDL2.2)		 2cdq ASPARTOKINASE
(Arabidopsis
thaliana) 		5 / 12 LEU A 119
ILE A 211
THR A  69
ALA A  65
LEU A  63
 None
None
None
LYS  A 601 (-3.9A)
None
 1.15A 5ienB-2cdqA:
undetectable		 5ienB-2cdqA:
13.96
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.
5IMS_B_ACTB713_0
(ACETOLACTATE
SYNTHASE CATALYTIC
SUBUNIT,
MITOCHONDRIAL)		 5gru DIABODY PROTEIN
DIABODY PROTEIN
(Homo
sapiens;
Mus
musculus) 		3 / 3 GLY H 130
GLN H  13
LYS L  65
 GLY  H 130 ( 0.0A)
GLN  H  13 ( 0.6A)
LYS  L  65 ( 0.0A)
 0.94A 5imsB-5gruH:
undetectable		 5imsB-5gruH:
16.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5IZF_E_AZ1E2_1
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA
6J9-ZEU-DAR-ACA-DAR-
NH2)		 3o96 RAC-ALPHA
SERINE/THREONINE-PRO
TEIN KINASE
(Homo
sapiens) 		4 / 7 GLY A 157
GLY A 159
LYS A 179
LEU A 181
 GLY  A 157 ( 0.0A)
GLY  A 159 ( 0.0A)
LYS  A 179 ( 0.0A)
LEU  A 181 ( 0.6A)
 0.18A 5izfA-3o96A:
29.3		 5izfA-3o96A:
34.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5IZJ_G_AZ1G2_1
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA
47P-AZ1-DAR-DAR)		 3o96 RAC-ALPHA
SERINE/THREONINE-PRO
TEIN KINASE
(Homo
sapiens) 		5 / 7 GLY A 157
GLY A 159
VAL A 164
LYS A 179
LEU A 181
 GLY  A 157 ( 0.0A)
GLY  A 159 ( 0.0A)
VAL  A 164 ( 0.6A)
LYS  A 179 ( 0.0A)
LEU  A 181 ( 0.6A)
 0.38A 5izjA-3o96A:
30.3		 5izjA-3o96A:
34.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5J5X_B_AZ1B2_1
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA
47P-AZ1-DAL-DAR-DAR-
DAR-DAR)		 3o96 RAC-ALPHA
SERINE/THREONINE-PRO
TEIN KINASE
(Homo
sapiens) 		4 / 7 GLY A 157
GLY A 159
VAL A 164
LYS A 179
 GLY  A 157 ( 0.0A)
GLY  A 159 ( 0.0A)
VAL  A 164 ( 0.6A)
LYS  A 179 ( 0.0A)
 0.41A 5j5xA-3o96A:
29.5		 5j5xA-3o96A:
34.20
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.
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.
5KLA_A_ACTA1505_0
(MATERNAL PROTEIN
PUMILIO)		 1aoa T-FIMBRIN
(Homo
sapiens) 		3 / 3 HIS A 304
LYS A 300
PHE A 328
 HIS  A 304 ( 1.0A)
LYS  A 300 ( 0.0A)
PHE  A 328 ( 1.3A)
 1.45A 5klaA-1aoaA:
undetectable		 5klaA-1aoaA:
20.49
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.
5L2T_A_6ZZA900_2
(CYCLIN-DEPENDENT
KINASE 6)		 1it2 HEMOGLOBIN
(Eptatretus
burgeri) 		3 / 3 LYS A  78
GLN A  89
ASN A  88
 LYS  A  78 (-0.0A)
GLN  A  89 ( 0.6A)
ASN  A  88 ( 0.6A)
 0.99A 5l2tA-1it2A:
undetectable		 5l2tA-1it2A:
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.
5NKN_A_LOCA201_2
(NEUTROPHIL
GELATINASE-ASSOCIATE
D LIPOCALIN)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		3 / 3 VAL A 491
LYS A 401
MET A 397
 VAL  A 491 ( 0.6A)
LYS  A 401 ( 0.0A)
ILE  A 402 ( 3.8A)
 1.10A 5nknA-2nvvA:
undetectable		 5nknA-2nvvA:
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.
5NWW_A_ACAA18_2
(SCRFP-TAG,GP41)		 5me6 EUKARYOTIC
TRANSCRIPTION
INITIATION FACTOR 4E
(Cucumis
melo) 		3 / 3 LYS A 138
TRP A 139
SER A 185
 LYS  A 138 ( 0.0A)
TRP  A 139 ( 0.5A)
SER  A 185 ( 0.0A)
 1.13A 5nwwA-5me6A:
undetectable		 5nwwA-5me6A:
9.34
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.
5ONL_A_010A302_0
(YNDL)		 2bzt PROTEIN ISCX
(Escherichia
coli) 		4 / 5 GLU A  55
LYS A  52
GLU A  51
PHE A  29
 GLU  A  55 ( 0.6A)
LYS  A  52 ( 0.0A)
GLU  A  51 ( 0.6A)
PHE  A  29 ( 1.3A)
 1.37A 5onlA-2bztA:
undetectable		 5onlA-2bztA:
16.18
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.
5W97_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 5d7w SERRALYSIN
(Serratia
marcescens) 		4 / 6 LYS A  57
LEU A  58
PHE A  60
LEU A 182
 LYS  A  57 ( 0.0A)
LEU  A  58 ( 0.6A)
PHE  A  60 ( 1.3A)
LEU  A 182 ( 0.6A)
 0.93A 5w97C-5d7wA:
undetectable
5w97J-5d7wA:
undetectable		 5w97C-5d7wA:
19.92
5w97J-5d7wA:
8.16
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.
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.
5X19_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)		 5d7w SERRALYSIN
(Serratia
marcescens) 		4 / 6 LYS A  57
LEU A  58
PHE A  60
LEU A 182
 LYS  A  57 ( 0.0A)
LEU  A  58 ( 0.6A)
PHE  A  60 ( 1.3A)
LEU  A 182 ( 0.6A)
 0.91A 5x19P-5d7wA:
undetectable		 5x19P-5d7wA:
19.92
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.
5X1F_P_CHDP304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 5d7w SERRALYSIN
(Serratia
marcescens) 		4 / 7 LYS A  57
LEU A  58
PHE A  60
LEU A 182
 LYS  A  57 ( 0.0A)
LEU  A  58 ( 0.6A)
PHE  A  60 ( 1.3A)
LEU  A 182 ( 0.6A)
 0.90A 5x1fP-5d7wA:
undetectable
5x1fW-5d7wA:
undetectable		 5x1fP-5d7wA:
19.92
5x1fW-5d7wA:
8.16
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.
5X2S_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		 4dlk PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE, ATPASE
SUBUNIT
(Bacillus
anthracis) 		4 / 8 PRO A 207
LYS A 204
THR A 286
TYR A 279
 PRO  A 207 ( 1.1A)
LYS  A 204 ( 0.0A)
THR  A 286 ( 0.8A)
TYR  A 279 ( 1.3A)
 1.36A 5x2sI-4dlkA:
undetectable
5x2sJ-4dlkA:
undetectable
5x2sK-4dlkA:
undetectable		 5x2sI-4dlkA:
17.77
5x2sJ-4dlkA:
19.82
5x2sK-4dlkA:
17.77
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.
5XIW_B_LOCB504_2
(TUBULIN BETA CHAIN)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		5 / 12 LEU A 220
LEU A 232
ILE A 191
LYS A 229
ALA A 223
 LEU  A 220 ( 0.6A)
LEU  A 232 ( 0.5A)
ILE  A 191 ( 0.7A)
LYS  A 229 ( 0.0A)
ALA  A 223 ( 0.0A)
 1.00A 5xiwB-4flxA:
undetectable		 5xiwB-4flxA:
8.14
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.
5XOO_A_ADNA506_1
(GLYCOSAMINOGLYCAN
XYLOSYLKINASE)		 4kqn D-HYDANTOINASE
(Bacillus
sp.
AR9) 		4 / 6 LEU A 124
LYS A  97
GLU A  99
LEU A 101
 LEU  A 124 ( 0.5A)
LYS  A  97 ( 0.0A)
GLU  A  99 ( 0.6A)
LEU  A 101 ( 0.6A)
 1.33A 5xooA-4kqnA:
undetectable		 5xooA-4kqnA:
10.70
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.
5YW0_A_ACTA412_0
(UNCHARACTERIZED
PROTEIN KDOO)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		3 / 3 LYS A  33
ASN A  31
SER A  24
 LYS  A  33 ( 0.0A)
ASN  A  31 ( 0.6A)
SER  A  24 ( 0.0A)
 1.17A 5yw0A-2nvvA:
undetectable		 5yw0A-2nvvA:
21.40
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.
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.
6A4I_A_TRPA403_0
(TRYPTOPHAN
2,3-DIOXYGENASE)		 3a9i HOMOCITRATE SYNTHASE
(Thermus
thermophilus) 		4 / 8 GLU A 193
ARG A  12
THR A  71
ILE A  91
 LYS  A 378 (-4.4A)
LYS  A 378 (-3.4A)
None
None
 1.01A 6a4iA-3a9iA:
undetectable		 6a4iA-3a9iA:
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.
6AN0_A_HISA520_0
(HISTIDINOL
DEHYDROGENASE)		 3ik5 PROTEIN NEF
(Simian
immunodeficiency
virus) 		4 / 6 GLU A 150
LYS A 148
ARG A 109
GLU A 147
 GLU  A 150 ( 0.6A)
LYS  A 148 ( 0.0A)
ARG  A 109 ( 0.6A)
GLU  A 147 ( 0.6A)
 1.06A 6an0A-3ik5A:
undetectable		 6an0A-3ik5A:
14.25
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.
6AN0_A_HISA520_0
(HISTIDINOL
DEHYDROGENASE)		 3kbb PHOSPHORYLATED
CARBOHYDRATES
PHOSPHATASE TM_1254
(Thermotoga
maritima) 		5 / 6 GLU A 164
LYS A 167
GLU A 171
ALA A 172
LYS A 140
 GLU  A 164 ( 0.6A)
LYS  A 167 (-0.0A)
GLU  A 171 ( 0.6A)
ALA  A 172 ( 0.0A)
LYS  A 140 (-0.0A)
 1.48A 6an0A-3kbbA:
4.2		 6an0A-3kbbA:
18.53
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.
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.
6AZ3_1_PAR11803_1
(RRNA ALPHA
RIBOSOMAL PROTEIN
EL18)		 1aoy ARGININE REPRESSOR
(Escherichia
coli) 		3 / 3 SER A  44
LYS A  45
SER A  47
 SER  A  44 ( 0.0A)
LYS  A  45 ( 0.0A)
SER  A  47 ( 0.0A)
 0.78A 6az3P-1aoyA:
undetectable		 6az3P-1aoyA:
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.
6AZ3_1_PAR11803_1
(RRNA ALPHA
RIBOSOMAL PROTEIN
EL18)		 3kbb PHOSPHORYLATED
CARBOHYDRATES
PHOSPHATASE TM_1254
(Thermotoga
maritima) 		3 / 3 SER A 168
LYS A 167
SER A 166
 SER  A 168 (-0.0A)
LYS  A 167 (-0.0A)
SER  A 166 (-0.0A)
 0.85A 6az3P-3kbbA:
undetectable		 6az3P-3kbbA:
20.48
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.
6B58_C_ACTC609_0
(FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT)		 4fha DIHYDRODIPICOLINATE
SYNTHASE
(Streptococcus
pneumoniae) 		4 / 5 PHE A  94
GLU A  97
ASP A  90
HIS A  59
 None
None
None
LYS  A 401 (-3.8A)
 1.49A 6b58C-4fhaA:
0.0		 6b58C-4fhaA:
18.31
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.
6BNI_A_ADNA602_1
(LYSINE--TRNA LIGASE)		 1bbu PROTEIN (LYSYL-TRNA
SYNTHETASE)
(Escherichia
coli) 		5 / 10 ASN A 260
ARG A 262
GLU A 264
HIS A 270
PHE A 274
 None
LYS  A 505 (-4.0A)
None
None
None
 0.76A 6bniA-1bbuA:
46.3		 6bniA-1bbuA:
10.12
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.
6BNI_A_ADNA602_1
(LYSINE--TRNA LIGASE)		 1bbu PROTEIN (LYSYL-TRNA
SYNTHETASE)
(Escherichia
coli) 		7 / 10 ASN A 260
ARG A 262
HIS A 270
PHE A 274
GLY A 477
ARG A 480
ILE A 491
 None
LYS  A 505 (-4.0A)
None
None
None
None
None
 0.62A 6bniA-1bbuA:
46.3		 6bniA-1bbuA:
10.12
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.
6BNI_A_ADNA602_1
(LYSINE--TRNA LIGASE)		 1bbu PROTEIN (LYSYL-TRNA
SYNTHETASE)
(Escherichia
coli) 		7 / 10 ASN A 260
ARG A 262
PHE A 274
GLU A 421
GLY A 477
ARG A 480
ILE A 491
 None
LYS  A 505 (-4.0A)
None
None
None
None
None
 0.56A 6bniA-1bbuA:
46.3		 6bniA-1bbuA:
10.12
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.
6BNI_A_ADNA602_1
(LYSINE--TRNA LIGASE)		 1bbu PROTEIN (LYSYL-TRNA
SYNTHETASE)
(Escherichia
coli) 		5 / 10 ASN A 260
ARG A 262
PHE A 274
GLY A 477
ILE A 495
 None
LYS  A 505 (-4.0A)
None
None
None
 1.20A 6bniA-1bbuA:
46.3		 6bniA-1bbuA:
10.12
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.
6BNI_A_ADNA602_1
(LYSINE--TRNA LIGASE)		 4ex5 LYSINE--TRNA LIGASE
(Burkholderia
thailandensis) 		8 / 10 ASN A 260
ARG A 262
GLU A 264
PHE A 274
GLU A 425
GLY A 481
ARG A 484
ILE A 495
 None
LYS  A 601 (-3.7A)
None
None
None
None
None
None
 0.67A 6bniA-4ex5A:
44.4		 6bniA-4ex5A:
10.59
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.
6BNI_A_ADNA602_1
(LYSINE--TRNA LIGASE)		 5hgq LYSINE--TRNA LIGASE
(Loa
loa) 		7 / 10 ARG A 255
GLU A 257
HIS A 263
PHE A 267
GLU A 427
GLY A 483
ARG A 486
 LYS  A 601 (-3.4A)
KRS  A 602 (-3.1A)
KRS  A 602 (-4.4A)
KRS  A 602 (-3.6A)
KRS  A 602 (-4.3A)
KRS  A 602 (-3.5A)
KRS  A 602 (-3.2A)
 0.80A 6bniA-5hgqA:
43.9		 6bniA-5hgqA:
8.75
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.
6BNI_A_ADNA602_1
(LYSINE--TRNA LIGASE)		 5hgq LYSINE--TRNA LIGASE
(Loa
loa) 		7 / 10 ARG A 255
HIS A 263
PHE A 267
GLU A 427
GLY A 483
ARG A 486
ILE A 497
 LYS  A 601 (-3.4A)
KRS  A 602 (-4.4A)
KRS  A 602 (-3.6A)
KRS  A 602 (-4.3A)
KRS  A 602 (-3.5A)
KRS  A 602 (-3.2A)
None
 0.38A 6bniA-5hgqA:
43.9		 6bniA-5hgqA:
8.75
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.
6BNI_A_ADNA602_1
(LYSINE--TRNA LIGASE)		 5vl1 LYSINE--TRNA LIGASE
(Mycobacterium
ulcerans) 		7 / 10 ARG A 255
GLU A 257
HIS A 263
PHE A 267
GLY A 471
ARG A 474
ILE A 484
 LYS  A 502 (-3.3A)
None
PGE  A 501 (-4.8A)
PGE  A 501 (-3.6A)
PGE  A 501 ( 4.4A)
PGE  A 501 (-3.6A)
None
 0.77A 6bniA-5vl1A:
43.4		 6bniA-5vl1A:
10.71
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.
6BNI_A_ADNA602_1
(LYSINE--TRNA LIGASE)		 6aqh LYSINE--TRNA LIGASE
(Mycolicibacteriu
m
thermoresistibil
e) 		7 / 10 ARG A 258
HIS A 266
PHE A 270
GLU A 419
GLY A 475
ARG A 478
ILE A 488
 LYS  A 601 ( 3.4A)
KRS  A 602 (-4.5A)
KRS  A 602 (-3.5A)
KRS  A 602 (-3.8A)
KRS  A 602 (-3.8A)
KRS  A 602 (-3.5A)
None
 0.53A 6bniA-6aqhA:
43.9		 6bniA-6aqhA:
10.82
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.
6BNI_B_ADNB602_1
(LYSINE--TRNA LIGASE)		 1bbu PROTEIN (LYSYL-TRNA
SYNTHETASE)
(Escherichia
coli) 		6 / 10 ASN A 260
ARG A 262
GLU A 264
HIS A 270
PHE A 274
ILE A 491
 None
LYS  A 505 (-4.0A)
None
None
None
None
 0.75A 6bniB-1bbuA:
46.1		 6bniB-1bbuA:
10.12
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.
6BNI_B_ADNB602_1
(LYSINE--TRNA LIGASE)		 1bbu PROTEIN (LYSYL-TRNA
SYNTHETASE)
(Escherichia
coli) 		7 / 10 ASN A 260
ARG A 262
HIS A 270
PHE A 274
GLY A 477
ARG A 480
ILE A 491
 None
LYS  A 505 (-4.0A)
None
None
None
None
None
 0.60A 6bniB-1bbuA:
46.1		 6bniB-1bbuA:
10.12
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.
6BNI_B_ADNB602_1
(LYSINE--TRNA LIGASE)		 1bbu PROTEIN (LYSYL-TRNA
SYNTHETASE)
(Escherichia
coli) 		7 / 10 ASN A 260
ARG A 262
PHE A 274
GLU A 421
GLY A 477
ARG A 480
ILE A 491
 None
LYS  A 505 (-4.0A)
None
None
None
None
None
 0.53A 6bniB-1bbuA:
46.1		 6bniB-1bbuA:
10.12
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.
6BNI_B_ADNB602_1
(LYSINE--TRNA LIGASE)		 4ex5 LYSINE--TRNA LIGASE
(Burkholderia
thailandensis) 		8 / 10 ASN A 260
ARG A 262
GLU A 264
PHE A 274
GLU A 425
GLY A 481
ARG A 484
ILE A 495
 None
LYS  A 601 (-3.7A)
None
None
None
None
None
None
 0.60A 6bniB-4ex5A:
44.1		 6bniB-4ex5A:
10.59
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.
6BNI_B_ADNB602_1
(LYSINE--TRNA LIGASE)		 5hgq LYSINE--TRNA LIGASE
(Loa
loa) 		8 / 10 ARG A 255
GLU A 257
HIS A 263
PHE A 267
GLU A 427
GLY A 483
ARG A 486
ILE A 497
 LYS  A 601 (-3.4A)
KRS  A 602 (-3.1A)
KRS  A 602 (-4.4A)
KRS  A 602 (-3.6A)
KRS  A 602 (-4.3A)
KRS  A 602 (-3.5A)
KRS  A 602 (-3.2A)
None
 0.72A 6bniB-5hgqA:
44.1		 6bniB-5hgqA:
8.75
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.
6BNI_B_ADNB602_1
(LYSINE--TRNA LIGASE)		 5vl1 LYSINE--TRNA LIGASE
(Mycobacterium
ulcerans) 		7 / 10 ARG A 255
GLU A 257
HIS A 263
PHE A 267
GLY A 471
ARG A 474
ILE A 484
 LYS  A 502 (-3.3A)
None
PGE  A 501 (-4.8A)
PGE  A 501 (-3.6A)
PGE  A 501 ( 4.4A)
PGE  A 501 (-3.6A)
None
 0.79A 6bniB-5vl1A:
43.3		 6bniB-5vl1A:
10.71
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.
6BNI_B_ADNB602_1
(LYSINE--TRNA LIGASE)		 6aqh LYSINE--TRNA LIGASE
(Mycolicibacteriu
m
thermoresistibil
e) 		7 / 10 ARG A 258
HIS A 266
PHE A 270
GLU A 419
GLY A 475
ARG A 478
ILE A 488
 LYS  A 601 ( 3.4A)
KRS  A 602 (-4.5A)
KRS  A 602 (-3.5A)
KRS  A 602 (-3.8A)
KRS  A 602 (-3.8A)
KRS  A 602 (-3.5A)
None
 0.53A 6bniB-6aqhA:
44.0		 6bniB-6aqhA:
10.82
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.
6D8P_A_ACTA810_0
(UNCHARACTERIZED
PROTEIN)		 1fxj UDP-N-ACETYLGLUCOSAM
INE
PYROPHOSPHORYLASE
(Escherichia
coli) 		4 / 6 TYR A 239
GLU A 242
GLN A 243
LYS A 246
 TYR  A 239 ( 1.3A)
GLU  A 242 ( 0.6A)
GLN  A 243 ( 0.6A)
LYS  A 246 ( 0.0A)
 1.02A 6d8pA-1fxjA:
0.0		 6d8pA-1fxjA:
18.22
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.
6DJZ_A_GMJA301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 4ffl PYLC
(Methanosarcina
barkeri) 		4 / 6 SER A 136
ASP A 225
GLN A  12
GLU A 227
 LYS  A 901 ( 3.8A)
MG  A 906 ( 3.9A)
LYS  A 901 (-3.9A)
MG  A 906 (-2.7A)
 1.47A 6djzA-4fflA:
undetectable		 6djzA-4fflA:
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.
6DJZ_A_GMJA301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 4ffl PYLC
(Methanosarcina
barkeri) 		4 / 6 SER A 137
ASP A 241
GLN A  12
GLU A 239
 LYS  A 901 (-3.1A)
MG  A 905 ( 2.7A)
LYS  A 901 (-3.9A)
MG  A 905 ( 1.7A)
 1.49A 6djzA-4fflA:
undetectable		 6djzA-4fflA:
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.
6DJZ_B_GMJB301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 4ffl PYLC
(Methanosarcina
barkeri) 		4 / 6 ASP A 241
GLN A  12
GLU A 239
ALA A 141
 MG  A 905 ( 2.7A)
LYS  A 901 (-3.9A)
MG  A 905 ( 1.7A)
ADP  A 902 ( 4.2A)
 1.22A 6djzB-4fflA:
undetectable		 6djzB-4fflA:
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.
6DJZ_B_GMJB301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 6aqh LYSINE--TRNA LIGASE
(Mycolicibacteriu
m
thermoresistibil
e) 		4 / 6 ASP A 412
VAL A 387
GLU A 419
ALA A 213
 None
None
KRS  A 602 (-3.8A)
LYS  A 601 (-3.4A)
 1.18A 6djzB-6aqhA:
undetectable		 6djzB-6aqhA:
19.22
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.
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.
6GBF_A_ACTA507_0
(MOLYBDOPTERIN
BIOSYNTHESIS PROTEIN
CNX1)		 2j5b TYROSYL-TRNA
SYNTHETASE
(Acanthamoeba
polyphaga
mimivirus) 		3 / 3 LYS A 220
SER A 215
SER A 217
 LYS  A 220 ( 0.0A)
SER  A 215 ( 0.0A)
SER  A 217 ( 0.0A)
 1.00A 6gbfA-2j5bA:
3.2		 6gbfA-2j5bA:
22.53
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.
6GNA_A_ACTA307_0
(THIOREDOXIN
REDUCTASE)		 2p5d UPF0310 PROTEIN
MJECL36
(Methanocaldococc
us
jannaschii) 		3 / 3 ARG A  62
LYS A  20
TYR A  65
 ARG  A  62 ( 0.6A)
LYS  A  20 ( 0.0A)
TYR  A  65 ( 1.3A)
 1.15A 6gnaA-2p5dA:
undetectable		 6gnaA-2p5dA:
21.65
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.
6GNA_A_ACTA307_0
(THIOREDOXIN
REDUCTASE)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		3 / 3 ARG A 504
LYS A 502
TYR A 497
 ARG  A 504 (-0.6A)
LYS  A 502 ( 0.0A)
TYR  A 497 ( 1.3A)
 1.33A 6gnaA-4flxA:
1.3		 6gnaA-4flxA:
17.55
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.
6GNB_A_ACTA307_0
(THIOREDOXIN
REDUCTASE)		 2p5d UPF0310 PROTEIN
MJECL36
(Methanocaldococc
us
jannaschii) 		3 / 3 ARG A  62
LYS A  20
TYR A  65
 ARG  A  62 ( 0.6A)
LYS  A  20 ( 0.0A)
TYR  A  65 ( 1.3A)
 1.15A 6gnbA-2p5dA:
undetectable		 6gnbA-2p5dA:
21.65
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.
6GNB_A_ACTA307_0
(THIOREDOXIN
REDUCTASE)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		3 / 3 ARG A 504
LYS A 502
TYR A 497
 ARG  A 504 (-0.6A)
LYS  A 502 ( 0.0A)
TYR  A 497 ( 1.3A)
 1.33A 6gnbA-4flxA:
1.3		 6gnbA-4flxA:
17.55
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.
6HLP_A_GAWA1501_1
(SUBSTANCE-P
RECEPTOR,SUBSTANCE-P
RECEPTOR)		 4pj6 LEUCYL-CYSTINYL
AMINOPEPTIDASE
(Homo
sapiens) 		4 / 5 ASN A 330
GLN A 293
TYR A 549
MET A 354
 None
LYS  A1102 ( 4.3A)
None
None
 1.06A 6hlpA-4pj6A:
0.0		 6hlpA-4pj6A:
21.28
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.
6HRJ_A_010A302_0
(YNDL)		 2bzt PROTEIN ISCX
(Escherichia
coli) 		4 / 5 GLU A  55
LYS A  52
GLU A  51
PHE A  29
 GLU  A  55 ( 0.6A)
LYS  A  52 ( 0.0A)
GLU  A  51 ( 0.6A)
PHE  A  29 ( 1.3A)
 1.38A 6hrjA-2bztA:
undetectable		 6hrjA-2bztA:
15.87
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.
6HUP_E_DZPE502_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT BETA-3)		 4ffl PYLC
(Methanosarcina
barkeri) 		5 / 10 LEU A  11
MET A 334
THR A 333
LEU A 289
MET A 290
 LYS  A 901 (-3.6A)
None
None
None
None
 1.28A 6hupD-4fflA:
undetectable
6hupE-4fflA:
undetectable		 6hupD-4fflA:
13.20
6hupE-4fflA:
16.55
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.
6MB7_A_PARA900_0
(AAC(3)-IIIB PROTEIN)		 4pfm 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE
(Shewanella
benthica) 		5 / 10 ASN A 108
TYR A 119
HIS A 118
GLY A  78
GLU A  84
 None
None
None
None
LYS  A 302 (-2.9A)
 1.34A 6mb7A-4pfmA:
undetectable		 6mb7A-4pfmA:
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.
6N91_A_DCFA401_0
(ADENOSINE DEAMINASE)		 5xoy [LYSW]-LYSINE
HYDROLASE
(Thermus
thermophilus) 		5 / 12 HIS A 326
GLU A 124
HIS A  67
ASP A  91
ASP A 325
 None
LYS  A 401 (-3.0A)
None
None
None
 1.08A 6n91A-5xoyA:
undetectable		 6n91A-5xoyA:
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.
6N91_B_DCFB401_0
(ADENOSINE DEAMINASE)		 5xoy [LYSW]-LYSINE
HYDROLASE
(Thermus
thermophilus) 		5 / 12 HIS A 326
GLU A 124
HIS A  67
ASP A  91
ASP A 325
 None
LYS  A 401 (-3.0A)
None
None
None
 1.08A 6n91B-5xoyA:
undetectable		 6n91B-5xoyA:
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.
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