SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '289'


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.
1C9S_C_TRPC81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 6ck9 GP120 OF ENVELOPE
GLYCOPROTEIN GP160
(Human
immunodeficiency
virus
1) 		5 / 10 ARG G 344
GLY G 451
HIS G 287
THR G 341
ILE G 449
 NAG  G2891 (-3.7A)
None
None
None
None
 1.40A 1c9sB-6ck9G:
undetectable
1c9sC-6ck9G:
undetectable		 1c9sB-6ck9G:
undetectable
1c9sC-6ck9G:
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.
1C9S_H_TRPH81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 6ck9 GP120 OF ENVELOPE
GLYCOPROTEIN GP160
(Human
immunodeficiency
virus
1) 		5 / 10 ARG G 344
GLY G 451
HIS G 287
THR G 341
ILE G 449
 NAG  G2891 (-3.7A)
None
None
None
None
 1.38A 1c9sG-6ck9G:
undetectable
1c9sH-6ck9G:
undetectable		 1c9sG-6ck9G:
undetectable
1c9sH-6ck9G:
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.
1DZ4_A_CAMA502_0
(CYTOCHROME P450-CAM)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 6 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 0.99A 1dz4A-5lmxC:
undetectable		 1dz4A-5lmxC:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DZ4_B_CAMB502_0
(CYTOCHROME P450-CAM)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 6 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 0.97A 1dz4B-5lmxC:
undetectable		 1dz4B-5lmxC:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E7B_B_HLTB4001_1
(SERUM ALBUMIN)		 1fxj UDP-N-ACETYLGLUCOSAM
INE
PYROPHOSPHORYLASE
(Escherichia
coli) 		4 / 4 ARG A 289
LYS A 291
ASP A 306
GLY A 304
 ARG  A 289 ( 0.6A)
LYS  A 291 ( 0.0A)
ASP  A 306 ( 0.5A)
GLY  A 304 ( 0.0A)
 1.28A 1e7bB-1fxjA:
0.0		 1e7bB-1fxjA:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E7C_A_HLTA4001_1
(SERUM ALBUMIN)		 1fxj UDP-N-ACETYLGLUCOSAM
INE
PYROPHOSPHORYLASE
(Escherichia
coli) 		4 / 5 ARG A 289
LYS A 291
ASP A 306
GLY A 304
 ARG  A 289 ( 0.6A)
LYS  A 291 ( 0.0A)
ASP  A 306 ( 0.5A)
GLY  A 304 ( 0.0A)
 1.19A 1e7cA-1fxjA:
undetectable		 1e7cA-1fxjA:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EQG_A_IBPA701_1
(PROSTAGLANDIN H2
SYNTHASE-1)		 2g8l 287AA LONG
HYPOTHETICAL PROTEIN
(Pyrococcus
horikoshii) 		5 / 9 LEU A 222
ILE A  49
ALA A  53
SER A  55
LEU A  56
 None
None
None
None
EDO  A 289 ( 4.2A)
 1.13A 1eqgA-2g8lA:
undetectable		 1eqgA-2g8lA:
18.63
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.
1EQG_B_IBPB1701_1
(PROSTAGLANDIN H2
SYNTHASE-1)		 2g8l 287AA LONG
HYPOTHETICAL PROTEIN
(Pyrococcus
horikoshii) 		5 / 11 LEU A 222
ILE A  49
ALA A  53
SER A  55
LEU A  56
 None
None
None
None
EDO  A 289 ( 4.2A)
 1.13A 1eqgB-2g8lA:
undetectable		 1eqgB-2g8lA:
18.63
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.
1FMO_E_ADNE351_1
(CAMP-DEPENDENT
PROTEIN KINASE)		 2iwi SERINE/THREONINE-PRO
TEIN KINASE PIM-2
(Homo
sapiens) 		7 / 12 LEU A  38
GLY A  39
VAL A  46
ALA A  59
ASN A 168
LEU A 170
ASP A 182
 HB1  A1289 ( 4.1A)
HB1  A1289 (-3.1A)
HB1  A1289 (-3.6A)
HB1  A1289 ( 3.7A)
HB1  A1289 ( 4.9A)
HB1  A1289 (-4.7A)
HB1  A1289 (-4.2A)
 0.68A 1fmoE-2iwiA:
26.7		 1fmoE-2iwiA:
24.72
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.
1GTF_D_TRPD81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))		 6ck9 GP120 OF ENVELOPE
GLYCOPROTEIN GP160
(Human
immunodeficiency
virus
1) 		5 / 10 ARG G 344
GLY G 451
HIS G 287
THR G 341
ILE G 449
 NAG  G2891 (-3.7A)
None
None
None
None
 1.40A 1gtfC-6ck9G:
undetectable
1gtfD-6ck9G:
undetectable		 1gtfC-6ck9G:
undetectable
1gtfD-6ck9G:
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.
1GTF_H_TRPH81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))		 6ck9 GP120 OF ENVELOPE
GLYCOPROTEIN GP160
(Human
immunodeficiency
virus
1) 		5 / 10 ARG G 344
GLY G 451
HIS G 287
THR G 341
ILE G 449
 NAG  G2891 (-3.7A)
None
None
None
None
 1.40A 1gtfG-6ck9G:
undetectable
1gtfH-6ck9G:
undetectable		 1gtfG-6ck9G:
undetectable
1gtfH-6ck9G:
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.
1GTF_I_TRPI81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))		 6ck9 GP120 OF ENVELOPE
GLYCOPROTEIN GP160
(Human
immunodeficiency
virus
1) 		5 / 10 ARG G 344
GLY G 451
HIS G 287
THR G 341
ILE G 449
 NAG  G2891 (-3.7A)
None
None
None
None
 1.39A 1gtfH-6ck9G:
undetectable
1gtfI-6ck9G:
undetectable		 1gtfH-6ck9G:
undetectable
1gtfI-6ck9G:
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.
1HSG_B_MK1B902_2
(HIV-1 PROTEASE)		 3rcm TATD FAMILY
HYDROLASE
(Pseudomonas
putida) 		5 / 12 ASP A   5
GLY A   7
ASP A 209
VAL A 235
GLY A 178
 None
None
CIT  A 289 (-3.3A)
None
None
 1.09A 1hsgB-3rcmA:
undetectable		 1hsgB-3rcmA:
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.
1I9G_A_SAMA301_1
(HYPOTHETICAL PROTEIN
RV2118C)		 2wl3 CATECHOL
2,3-DIOXYGENASE
(Rhodococcus
sp.
DK17) 		3 / 3 GLU A 263
HIS A 212
ASP A 281
 FE  A1289 (-2.7A)
FE  A1289 (-3.6A)
None
 0.77A 1i9gA-2wl3A:
undetectable		 1i9gA-2wl3A:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1IOL_A_ESTA400_1
(ESTROGENIC 17-BETA
HYDROXYSTEROID
DEHYDROGENASE)		 1gzc ERYTHRINA
CRISTA-GALLI LECTIN
(Erythrina
crista-galli) 		5 / 11 SER A 152
LEU A 109
GLY A 144
HIS A 226
GLU A 224
 MN  A 289 ( 4.1A)
None
None
None
None
 1.44A 1iolA-1gzcA:
undetectable		 1iolA-1gzcA:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ITU_A_CILA451_1
(RENAL DIPEPTIDASE)		 2yb4 AMIDOHYDROLASE
(Chromobacterium
violaceum) 		5 / 12 GLU A  64
HIS A  39
HIS A  75
HIS A 191
ASP A 248
 None
SO4  A1289 (-4.1A)
None
None
None
 1.42A 1ituA-2yb4A:
3.3		 1ituA-2yb4A:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ITU_A_CILA451_1
(RENAL DIPEPTIDASE)		 3rcm TATD FAMILY
HYDROLASE
(Pseudomonas
putida) 		5 / 12 GLU A  97
HIS A  68
HIS A 133
ASP A 209
PRO A 211
 ZN  A 288 ( 2.3A)
CIT  A 289 (-4.0A)
ZN  A 288 ( 3.2A)
CIT  A 289 (-3.3A)
None
 1.38A 1ituA-3rcmA:
13.9		 1ituA-3rcmA:
25.26
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.
1ITU_A_CILA451_1
(RENAL DIPEPTIDASE)		 3rcm TATD FAMILY
HYDROLASE
(Pseudomonas
putida) 		5 / 12 GLU A  97
HIS A  68
HIS A 133
HIS A 158
PRO A 211
 ZN  A 288 ( 2.3A)
CIT  A 289 (-4.0A)
ZN  A 288 ( 3.2A)
ZN  A 288 ( 3.2A)
None
 1.36A 1ituA-3rcmA:
13.9		 1ituA-3rcmA:
25.26
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.
1ITU_B_CILB452_1
(RENAL DIPEPTIDASE)		 3rcm TATD FAMILY
HYDROLASE
(Pseudomonas
putida) 		5 / 12 GLU A  97
HIS A  68
HIS A 133
ASP A 209
PRO A 211
 ZN  A 288 ( 2.3A)
CIT  A 289 (-4.0A)
ZN  A 288 ( 3.2A)
CIT  A 289 (-3.3A)
None
 1.39A 1ituB-3rcmA:
13.6		 1ituB-3rcmA:
25.26
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.
1ITU_B_CILB452_1
(RENAL DIPEPTIDASE)		 3rcm TATD FAMILY
HYDROLASE
(Pseudomonas
putida) 		5 / 12 GLU A  97
HIS A  68
HIS A 133
HIS A 158
PRO A 211
 ZN  A 288 ( 2.3A)
CIT  A 289 (-4.0A)
ZN  A 288 ( 3.2A)
ZN  A 288 ( 3.2A)
None
 1.39A 1ituB-3rcmA:
13.6		 1ituB-3rcmA:
25.26
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.
1JU6_A_LYAA317_1
(THYMIDYLATE SYNTHASE)		 3sbu HYPOTHETICAL
NTF2-LIKE PROTEIN
(Bacteroides
fragilis) 		5 / 11 PHE A 152
ILE A 237
ASP A 129
LEU A 132
PHE A  64
 None
None
GOL  A 287 ( 3.9A)
GOL  A 289 ( 4.2A)
None
 1.34A 1ju6A-3sbuA:
undetectable		 1ju6A-3sbuA:
23.89
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.
1O76_B_CAMB1420_0
(CYTOCHROME P450-CAM)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 8 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 0.96A 1o76B-5lmxC:
undetectable		 1o76B-5lmxC:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OE2_A_CUA502_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 2x7v PROBABLE
ENDONUCLEASE 4
(Thermotoga
maritima) 		3 / 3 GLU A 144
HIS A 181
HIS A 109
 ZN  A1287 ( 2.4A)
ZN  A1289 ( 3.3A)
ZN  A1287 (-3.3A)
 0.48A 1oe2A-2x7vA:
undetectable		 1oe2A-2x7vA:
25.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1PK2_A_ACAA91_1
(TISSUE-TYPE
PLASMINOGEN
ACTIVATOR)		 1pml TISSUE PLASMINOGEN
ACTIVATOR KRINGLE 2
(Homo
sapiens) 		6 / 8 ASP A  55
ASP A  57
TRP A  62
HIS A  64
LEU A  70
TRP A  72
 None
None
None
CL  A 289 (-4.8A)
None
None
 0.87A 1pk2A-1pmlA:
12.7		 1pk2A-1pmlA:
95.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1PK2_A_ACAA91_1
(TISSUE-TYPE
PLASMINOGEN
ACTIVATOR)		 1pml TISSUE PLASMINOGEN
ACTIVATOR KRINGLE 2
(Homo
sapiens) 		4 / 8 TYR A  35
ASP A  57
TRP A  62
HIS A  64
 CL  A 289 (-4.8A)
None
None
CL  A 289 (-4.8A)
 0.77A 1pk2A-1pmlA:
12.7		 1pk2A-1pmlA:
95.56
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.
1T85_A_CAMA422_0
(CYTOCHROME P450-CAM)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 7 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 1.01A 1t85A-5lmxC:
undetectable		 1t85A-5lmxC:
22.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T87_A_CAMA1422_0
(CYTOCHROME P450-CAM)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 7 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 1.00A 1t87A-5lmxC:
undetectable		 1t87A-5lmxC:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UTT_A_HAEA1265_1
(MACROPHAGE
METALLOELASTASE)		 3rcm TATD FAMILY
HYDROLASE
(Pseudomonas
putida) 		4 / 4 HIS A 133
GLU A  97
HIS A  68
HIS A  70
 ZN  A 288 ( 3.2A)
ZN  A 288 ( 2.3A)
CIT  A 289 (-4.0A)
ACT  A 290 ( 4.5A)
 1.29A 1uttA-3rcmA:
undetectable		 1uttA-3rcmA:
16.97
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.
1UYU_B_CAMB1416_0
(CYTOCHROME P450-CAM)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 8 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 0.93A 1uyuB-5lmxC:
undetectable		 1uyuB-5lmxC:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V8B_B_ADNB1502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3di4 UNCHARACTERIZED
PROTEIN DUF1989
(Ruegeria
pomeroyi) 		5 / 12 HIS A 143
ASP A 128
THR A 129
GLY A  79
PHE A 224
 None
None
GOL  A 289 ( 4.0A)
None
None
 1.29A 1v8bB-3di4A:
undetectable		 1v8bB-3di4A:
18.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YI4_A_ADNA306_1
(PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE PIM-1)		 2iwi SERINE/THREONINE-PRO
TEIN KINASE PIM-2
(Homo
sapiens) 		9 / 10 LEU A  38
PHE A  43
ALA A  59
ILE A 100
LEU A 116
PRO A 119
ASP A 124
LEU A 170
ILE A 181
 HB1  A1289 ( 4.1A)
HB1  A1289 (-3.9A)
HB1  A1289 ( 3.7A)
HB1  A1289 (-4.1A)
HB1  A1289 (-3.1A)
HB1  A1289 ( 4.9A)
HB1  A1289 (-3.6A)
HB1  A1289 (-4.7A)
HB1  A1289 (-3.7A)
 0.62A 1yi4A-2iwiA:
25.5		 1yi4A-2iwiA:
54.72
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.
1YRC_A_CAMA420_0
(CYTOCHROME P450-CAM)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 7 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 0.99A 1yrcA-5lmxC:
undetectable		 1yrcA-5lmxC:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YRD_A_CAMA420_0
(CYTOCHROME P450-CAM)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 7 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 0.97A 1yrdA-5lmxC:
undetectable		 1yrdA-5lmxC:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3A_A_TEPA1436_1
(CHITINASE)		 3r9r PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE
(Mycobacteroides
abscessus) 		3 / 3 ASP A  48
PHE A 289
ARG A  51
 ASP  A  48 ( 0.6A)
PHE  A 289 ( 1.3A)
ARG  A  51 ( 0.6A)
 0.85A 2a3aA-3r9rA:
undetectable		 2a3aA-3r9rA:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		 3dx5 UNCHARACTERIZED
PROTEIN ASBF
(Bacillus
anthracis) 		4 / 7 TYR A 217
GLU A  33
SER A  68
PHE A 104
 DHB  A 289 (-4.3A)
None
None
None
 1.11A 2ackA-3dx5A:
undetectable		 2ackA-3dx5A:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AVS_B_MK1B902_3
(POL POLYPROTEIN)		 3rcm TATD FAMILY
HYDROLASE
(Pseudomonas
putida) 		5 / 12 ASP A   5
GLY A   7
ASP A 209
VAL A 235
GLY A 178
 None
None
CIT  A 289 (-3.3A)
None
None
 1.08A 2avsB-3rcmA:
undetectable		 2avsB-3rcmA:
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.
2CPP_A_CAMA422_0
(CYTOCHROME P450-CAM)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 7 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 0.98A 2cppA-5lmxC:
undetectable		 2cppA-5lmxC:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FEU_B_CAMB1421_0
(CYTOCHROME P450-CAM)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 7 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 1.04A 2feuB-5lmxC:
undetectable		 2feuB-5lmxC:
22.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FUM_A_MIXA539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		 2iwi SERINE/THREONINE-PRO
TEIN KINASE PIM-2
(Homo
sapiens) 		7 / 12 LEU A  38
VAL A  46
ALA A  59
ASP A 163
LYS A 165
ASN A 168
ASP A 182
 HB1  A1289 ( 4.1A)
HB1  A1289 (-3.6A)
HB1  A1289 ( 3.7A)
None
None
HB1  A1289 ( 4.9A)
HB1  A1289 (-4.2A)
 0.83A 2fumA-2iwiA:
26.0		 2fumA-2iwiA:
27.65
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.
2IVU_A_ZD6A3015_0
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET
PRECURSOR)		 2iwi SERINE/THREONINE-PRO
TEIN KINASE PIM-2
(Homo
sapiens) 		6 / 12 LEU A  38
GLY A  39
VAL A  46
GLU A  83
LEU A  87
LEU A 114
 HB1  A1289 ( 4.1A)
HB1  A1289 (-3.1A)
HB1  A1289 (-3.6A)
None
None
None
 0.50A 2ivuA-2iwiA:
25.3		 2ivuA-2iwiA:
26.48
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.
2JAP_A_J01A1249_1
(CLAVALDEHYDE
DEHYDROGENASE)		 3sbu HYPOTHETICAL
NTF2-LIKE PROTEIN
(Bacteroides
fragilis) 		5 / 12 LEU A 116
ILE A  68
VAL A 137
TYR A 114
TYR A 239
 None
None
None
MLY  A 255 ( 4.0A)
GOL  A 289 (-4.8A)
 1.27A 2japA-3sbuA:
undetectable		 2japA-3sbuA:
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.
2JAP_C_J01C1249_1
(CLAVALDEHYDE
DEHYDROGENASE)		 3sbu HYPOTHETICAL
NTF2-LIKE PROTEIN
(Bacteroides
fragilis) 		5 / 12 LEU A 116
ILE A  68
VAL A 137
TYR A 114
TYR A 239
 None
None
None
MLY  A 255 ( 4.0A)
GOL  A 289 (-4.8A)
 1.26A 2japC-3sbuA:
undetectable		 2japC-3sbuA:
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.
2JAP_D_J01D1249_1
(CLAVALDEHYDE
DEHYDROGENASE)		 3sbu HYPOTHETICAL
NTF2-LIKE PROTEIN
(Bacteroides
fragilis) 		5 / 12 LEU A 116
ILE A  68
VAL A 137
TYR A 114
TYR A 239
 None
None
None
MLY  A 255 ( 4.0A)
GOL  A 289 (-4.8A)
 1.24A 2japD-3sbuA:
undetectable		 2japD-3sbuA:
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.
2OKC_B_SAMB500_0
(TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN)		 4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER
(Escherichia
coli) 		5 / 12 ILE A 122
ALA A 183
GLY A 163
GLY A 145
ASN A 161
 None
None
289  A 421 ( 4.3A)
None
None
 1.18A 2okcB-4q1qA:
undetectable		 2okcB-4q1qA:
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.
2OZ7_A_CA4A1_2
(ANDROGEN RECEPTOR)		 3uf6 LMO1369 PROTEIN
(Listeria
monocytogenes) 		4 / 6 LEU A 285
MET A 136
MET A  98
LEU A 114
 None
COD  A 289 (-4.7A)
None
None
 1.32A 2oz7A-3uf6A:
undetectable		 2oz7A-3uf6A:
17.93
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.
2OZR_E_HAEE3003_1
(COLLAGENASE 3)		 3rcm TATD FAMILY
HYDROLASE
(Pseudomonas
putida) 		4 / 4 HIS A 133
GLU A  97
HIS A  68
HIS A  70
 ZN  A 288 ( 3.2A)
ZN  A 288 ( 2.3A)
CIT  A 289 (-4.0A)
ACT  A 290 ( 4.5A)
 1.34A 2ozrE-3rcmA:
undetectable		 2ozrE-3rcmA:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PLW_A_SAMA203_1
(RIBOSOMAL RNA
METHYLTRANSFERASE,
PUTATIVE)		 3pef 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
NAD-BINDING
(Geobacter
metallireducens) 		3 / 3 SER A  95
ASP A  98
ASP A  67
 None
None
GOL  A 289 (-3.7A)
 0.59A 2plwA-3pefA:
5.4		 2plwA-3pefA:
18.75
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.
2QWX_B_ML1B233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 2vbf BRANCHED-CHAIN
ALPHA-KETOACID
DECARBOXYLASE
(Lactococcus
lactis) 		4 / 7 GLY A 289
GLY A 242
PHE A 381
PHE A 382
 GLY  A 289 ( 0.0A)
GLY  A 242 ( 0.0A)
PHE  A 381 ( 1.3A)
PHE  A 382 ( 1.3A)
 0.96A 2qwxA-2vbfA:
undetectable
2qwxB-2vbfA:
undetectable		 2qwxA-2vbfA:
16.35
2qwxB-2vbfA:
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.
2WUZ_A_TPFA1460_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE
, PUTATIVE)		 3ghg FIBRINOGEN GAMMA
CHAIN
(Homo
sapiens) 		5 / 10 ALA C 341
ALA C 289
LEU C 250
MET C 384
VAL C 248
 ALA  C 341 ( 0.0A)
ALA  C 289 ( 0.0A)
LEU  C 250 ( 0.6A)
MET  C 384 ( 0.0A)
VAL  C 248 ( 0.6A)
 1.09A 2wuzA-3ghgC:
undetectable		 2wuzA-3ghgC:
18.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WUZ_B_TPFB1460_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE
, PUTATIVE)		 3ghg FIBRINOGEN GAMMA
CHAIN
(Homo
sapiens) 		5 / 10 ALA C 341
ALA C 289
LEU C 250
MET C 384
VAL C 248
 ALA  C 341 ( 0.0A)
ALA  C 289 ( 0.0A)
LEU  C 250 ( 0.6A)
MET  C 384 ( 0.0A)
VAL  C 248 ( 0.6A)
 1.07A 2wuzB-3ghgC:
undetectable		 2wuzB-3ghgC:
18.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X0P_A_ADNA1607_1
(ALCALIGIN
BIOSYNTHESIS PROTEIN)		 2x7v PROBABLE
ENDONUCLEASE 4
(Thermotoga
maritima) 		4 / 8 GLY A 154
ILE A 108
HIS A 181
GLU A 144
 None
None
ZN  A1289 ( 3.3A)
ZN  A1287 ( 2.4A)
 0.94A 2x0pA-2x7vA:
undetectable		 2x0pA-2x7vA:
18.15
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.
2XAD_E_GCSE710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 2yb4 AMIDOHYDROLASE
(Chromobacterium
violaceum) 		4 / 8 ARG A 102
SER A  66
HIS A  39
ASP A  40
 SO4  A1289 (-3.1A)
SO4  A1289 ( 4.7A)
SO4  A1289 (-4.1A)
None
 1.09A 2xadA-2yb4A:
undetectable		 2xadA-2yb4A:
24.36
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.
2XAD_F_GCSF710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 2yb4 AMIDOHYDROLASE
(Chromobacterium
violaceum) 		4 / 8 ARG A 102
SER A  66
HIS A  39
ASP A  40
 SO4  A1289 (-3.1A)
SO4  A1289 ( 4.7A)
SO4  A1289 (-4.1A)
None
 1.10A 2xadB-2yb4A:
undetectable		 2xadB-2yb4A:
24.36
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.
2XAD_G_GCSG710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 2yb4 AMIDOHYDROLASE
(Chromobacterium
violaceum) 		4 / 8 ARG A 102
SER A  66
HIS A  39
ASP A  40
 SO4  A1289 (-3.1A)
SO4  A1289 ( 4.7A)
SO4  A1289 (-4.1A)
None
 1.10A 2xadC-2yb4A:
undetectable		 2xadC-2yb4A:
24.36
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.
2XAD_H_GCSH710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 2yb4 AMIDOHYDROLASE
(Chromobacterium
violaceum) 		4 / 8 ARG A 102
SER A  66
HIS A  39
ASP A  40
 SO4  A1289 (-3.1A)
SO4  A1289 ( 4.7A)
SO4  A1289 (-4.1A)
None
 1.09A 2xadD-2yb4A:
undetectable		 2xadD-2yb4A:
24.36
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.
2Z54_A_AB1A200_1
(HIV-1 PROTEASE)		 3rcm TATD FAMILY
HYDROLASE
(Pseudomonas
putida) 		5 / 12 ASP A   5
GLY A   7
ASP A 209
VAL A 235
GLY A 178
 None
None
CIT  A 289 (-3.3A)
None
None
 1.07A 2z54A-3rcmA:
undetectable		 2z54A-3rcmA:
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.
2ZAW_A_CAMA422_0
(CYTOCHROME P450-CAM)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 6 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 0.94A 2zawA-5lmxC:
undetectable		 2zawA-5lmxC:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZAX_A_CAMA422_0
(CYTOCHROME P450-CAM)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 7 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 0.97A 2zaxA-5lmxC:
undetectable		 2zaxA-5lmxC:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZWT_A_CAMA422_0
(CAMPHOR
5-MONOOXYGENASE)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 7 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 0.97A 2zwtA-5lmxC:
undetectable		 2zwtA-5lmxC:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZWU_A_CAMA422_0
(CAMPHOR
5-MONOOXYGENASE)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 7 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 0.98A 2zwuA-5lmxC:
undetectable		 2zwuA-5lmxC:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABK_B_CHDB1085_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)		 4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER
(Escherichia
coli) 		5 / 11 GLN A 204
THR A 215
THR A 234
ARG A 207
GLY A 229
 None
None
None
289  A 414 ( 3.6A)
None
 1.31A 3abkA-4q1qA:
undetectable
3abkB-4q1qA:
undetectable
3abkT-4q1qA:
undetectable		 3abkA-4q1qA:
21.89
3abkB-4q1qA:
19.41
3abkT-4q1qA:
12.16
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.
3AG3_B_CHDB1085_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)		 4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER
(Escherichia
coli) 		5 / 11 GLN A 204
THR A 215
THR A 234
ARG A 207
GLY A 229
 None
None
None
289  A 414 ( 3.6A)
None
 1.28A 3ag3A-4q1qA:
undetectable
3ag3B-4q1qA:
undetectable
3ag3T-4q1qA:
undetectable		 3ag3A-4q1qA:
21.89
3ag3B-4q1qA:
19.41
3ag3T-4q1qA:
12.16
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.
3AG3_O_CHDO229_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)		 4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER
(Escherichia
coli) 		5 / 11 ARG A 207
GLY A 229
GLN A 204
THR A 215
THR A 234
 289  A 414 ( 3.6A)
None
None
None
None
 1.37A 3ag3G-4q1qA:
undetectable
3ag3N-4q1qA:
undetectable
3ag3O-4q1qA:
undetectable		 3ag3G-4q1qA:
12.16
3ag3N-4q1qA:
21.89
3ag3O-4q1qA:
19.41
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.
3B0W_A_DGXA1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		 3pu5 EXTRACELLULAR
SOLUTE-BINDING
PROTEIN
(Bordetella
parapertussis) 		5 / 12 LEU A 100
LEU A 106
MET A 271
ALA A 272
VAL A  89
 LEU  A 100 ( 0.6A)
LEU  A 106 ( 0.6A)
ALA  A 289 ( 3.7A)
ALA  A 272 ( 0.0A)
VAL  A  89 ( 0.6A)
 1.20A 3b0wA-3pu5A:
undetectable		 3b0wA-3pu5A:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3D1Z_B_017B201_2
(HIV-1 PROTEASE)		 3rcm TATD FAMILY
HYDROLASE
(Pseudomonas
putida) 		5 / 12 ASP A   5
GLY A   7
ASP A 209
VAL A 235
GLY A 178
 None
None
CIT  A 289 (-3.3A)
None
None
 1.08A 3d1zB-3rcmA:
undetectable		 3d1zB-3rcmA:
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.
3ELZ_A_CHDA150_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 2qj6 TOXIN A
(Clostridioides
difficile) 		5 / 12 PHE A 315
MET A 303
THR A 290
VAL A 289
ILE A 317
 PHE  A 315 ( 1.3A)
MET  A 303 ( 0.0A)
THR  A 290 ( 0.8A)
VAL  A 289 ( 0.6A)
ILE  A 317 ( 0.6A)
 1.40A 3elzA-2qj6A:
undetectable		 3elzA-2qj6A:
18.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3F8W_A_ADNA300_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 3odg XANTHOSINE
PHOSPHORYLASE
(Yersinia
pseudotuberculos
is) 		9 / 12 SER A  42
ALA A 125
GLY A 127
GLU A 205
VAL A 221
GLY A 222
MET A 223
ASN A 247
HIS A 259
 CL  A 289 (-3.9A)
CL  A 289 ( 3.9A)
XAN  A 288 (-3.5A)
XAN  A 288 (-2.8A)
XAN  A 288 (-4.5A)
XAN  A 288 (-3.4A)
XAN  A 288 (-4.3A)
XAN  A 288 (-3.0A)
None
 0.65A 3f8wA-3odgA:
37.3		 3f8wA-3odgA:
41.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3F8W_A_ADNA300_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 3odg XANTHOSINE
PHOSPHORYLASE
(Yersinia
pseudotuberculos
is) 		9 / 12 TYR A  97
ALA A 125
GLY A 127
GLU A 205
VAL A 221
GLY A 222
MET A 223
ASN A 247
HIS A 259
 None
CL  A 289 ( 3.9A)
XAN  A 288 (-3.5A)
XAN  A 288 (-2.8A)
XAN  A 288 (-4.5A)
XAN  A 288 (-3.4A)
XAN  A 288 (-4.3A)
XAN  A 288 (-3.0A)
None
 0.48A 3f8wA-3odgA:
37.3		 3f8wA-3odgA:
41.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3F8W_B_ADNB301_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 3odg XANTHOSINE
PHOSPHORYLASE
(Yersinia
pseudotuberculos
is) 		8 / 12 SER A  42
GLY A 127
GLU A 205
VAL A 221
GLY A 222
MET A 223
ASN A 247
HIS A 259
 CL  A 289 (-3.9A)
XAN  A 288 (-3.5A)
XAN  A 288 (-2.8A)
XAN  A 288 (-4.5A)
XAN  A 288 (-3.4A)
XAN  A 288 (-4.3A)
XAN  A 288 (-3.0A)
None
 0.62A 3f8wB-3odgA:
37.0		 3f8wB-3odgA:
41.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3F8W_C_ADNC302_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 3odg XANTHOSINE
PHOSPHORYLASE
(Yersinia
pseudotuberculos
is) 		9 / 12 HIS A  95
TYR A  97
ALA A 125
GLY A 127
GLU A 205
VAL A 221
GLY A 222
MET A 223
ASN A 247
 None
None
CL  A 289 ( 3.9A)
XAN  A 288 (-3.5A)
XAN  A 288 (-2.8A)
XAN  A 288 (-4.5A)
XAN  A 288 (-3.4A)
XAN  A 288 (-4.3A)
XAN  A 288 (-3.0A)
 0.44A 3f8wC-3odgA:
37.3		 3f8wC-3odgA:
41.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3F8W_C_ADNC302_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 3odg XANTHOSINE
PHOSPHORYLASE
(Yersinia
pseudotuberculos
is) 		8 / 12 SER A  42
ALA A 125
GLY A 127
GLU A 205
VAL A 221
GLY A 222
MET A 223
ASN A 247
 CL  A 289 (-3.9A)
CL  A 289 ( 3.9A)
XAN  A 288 (-3.5A)
XAN  A 288 (-2.8A)
XAN  A 288 (-4.5A)
XAN  A 288 (-3.4A)
XAN  A 288 (-4.3A)
XAN  A 288 (-3.0A)
 0.60A 3f8wC-3odgA:
37.3		 3f8wC-3odgA:
41.67
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.
3FWF_A_CAMA420_0
(CAMPHOR
5-MONOOXYGENASE)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 7 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 1.01A 3fwfA-5lmxC:
undetectable		 3fwfA-5lmxC:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FWF_B_CAMB420_0
(CAMPHOR
5-MONOOXYGENASE)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 7 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 1.03A 3fwfB-5lmxC:
undetectable		 3fwfB-5lmxC:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FWG_A_CAMA420_0
(CAMPHOR
5-MONOOXYGENASE)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 6 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 1.03A 3fwgA-5lmxC:
undetectable		 3fwgA-5lmxC:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FWG_B_CAMB420_0
(CAMPHOR
5-MONOOXYGENASE)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 7 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 1.00A 3fwgB-5lmxC:
undetectable		 3fwgB-5lmxC:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FWJ_A_CAMA420_0
(CAMPHOR
5-MONOOXYGENASE)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 7 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 1.02A 3fwjA-5lmxC:
undetectable		 3fwjA-5lmxC:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GP0_A_NILA1_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 11)		 2iwi SERINE/THREONINE-PRO
TEIN KINASE PIM-2
(Homo
sapiens) 		6 / 12 VAL A  46
ALA A  59
GLU A  83
LEU A  86
LEU A  87
HIS A 161
 HB1  A1289 (-3.6A)
HB1  A1289 ( 3.7A)
None
None
None
None
 0.86A 3gp0A-2iwiA:
20.5		 3gp0A-2iwiA:
25.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GP0_A_NILA1_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 11)		 2iwi SERINE/THREONINE-PRO
TEIN KINASE PIM-2
(Homo
sapiens) 		6 / 12 VAL A  46
ALA A  59
GLU A  83
LEU A  87
ILE A 100
HIS A 161
 HB1  A1289 (-3.6A)
HB1  A1289 ( 3.7A)
None
None
HB1  A1289 (-4.1A)
None
 0.93A 3gp0A-2iwiA:
20.5		 3gp0A-2iwiA:
25.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3I5U_A_SAMA401_0
(O-METHYLTRANSFERASE)		 3rcm TATD FAMILY
HYDROLASE
(Pseudomonas
putida) 		5 / 12 PHE A 131
HIS A 133
GLY A  38
LEU A  36
ASP A 209
 None
ZN  A 288 ( 3.2A)
None
None
CIT  A 289 (-3.3A)
 1.21A 3i5uA-3rcmA:
undetectable		 3i5uA-3rcmA:
24.59
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.
3KEE_B_30BB500_1
(GENOME POLYPROTEIN)		 4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER
(Escherichia
coli) 		5 / 12 GLY A 191
VAL A 111
GLY A 152
ALA A 155
ALA A 136
 None
None
289  A 408 (-4.4A)
None
None
 1.10A 3keeB-4q1qA:
undetectable		 3keeB-4q1qA:
23.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_B_30BB500_1
(GENOME POLYPROTEIN)		 4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER
(Escherichia
coli) 		5 / 12 GLY A 304
VAL A 225
GLY A 265
ALA A 268
ALA A 249
 289  A 435 ( 4.8A)
None
289  A 415 ( 3.7A)
None
None
 1.11A 3keeB-4q1qA:
undetectable		 3keeB-4q1qA:
23.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_C_30BC500_1
(GENOME POLYPROTEIN)		 4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER
(Escherichia
coli) 		5 / 12 GLY A 191
VAL A 111
GLY A 152
ALA A 155
ALA A 136
 None
None
289  A 408 (-4.4A)
None
None
 1.07A 3keeC-4q1qA:
undetectable		 3keeC-4q1qA:
23.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_C_30BC500_1
(GENOME POLYPROTEIN)		 4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER
(Escherichia
coli) 		5 / 12 GLY A 304
VAL A 225
GLY A 265
ALA A 268
ALA A 249
 289  A 435 ( 4.8A)
None
289  A 415 ( 3.7A)
None
None
 1.09A 3keeC-4q1qA:
undetectable		 3keeC-4q1qA:
23.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KK6_A_CELA701_2
(PROSTAGLANDIN G/H
SYNTHASE 1)		 1gzc ERYTHRINA
CRISTA-GALLI LECTIN
(Erythrina
crista-galli) 		4 / 6 HIS A 142
VAL A 181
ILE A 150
LEU A 179
 MN  A 289 (-3.5A)
None
None
None
 0.81A 3kk6A-1gzcA:
undetectable		 3kk6A-1gzcA:
18.48
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.
3LCV_B_SAMB301_1
(SISOMICIN-GENTAMICIN
RESISTANCE METHYLASE
SGM)		 3ch0 GLYCEROPHOSPHODIESTE
R PHOSPHODIESTERASE
(Cytophaga
hutchinsonii) 		3 / 3 ARG A 102
ASP A  42
GLN A  11
 GOL  A 289 (-2.7A)
CIT  A 272 (-3.7A)
None
 0.76A 3lcvB-3ch0A:
undetectable		 3lcvB-3ch0A:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER
(Escherichia
coli) 		5 / 12 TYR A  91
GLY A  96
ALA A  98
THR A 101
ILE A  84
 289  A 405 (-4.7A)
None
None
None
None
 1.40A 3ld6B-4q1qA:
undetectable		 3ld6B-4q1qA:
19.74
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.
3LSL_A_PZIA802_0
(GLUTAMATE RECEPTOR 2)		 3uf6 LMO1369 PROTEIN
(Listeria
monocytogenes) 		3 / 3 ASP A 270
ASN A 269
SER A 254
 COD  A 289 ( 3.8A)
COD  A 289 ( 4.4A)
COD  A 289 (-3.5A)
 0.96A 3lslA-3uf6A:
2.2
3lslD-3uf6A:
undetectable		 3lslA-3uf6A:
21.22
3lslD-3uf6A:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LSL_D_PZID802_0
(GLUTAMATE RECEPTOR 2)		 3uf6 LMO1369 PROTEIN
(Listeria
monocytogenes) 		3 / 3 SER A 254
ASP A 270
ASN A 269
 COD  A 289 (-3.5A)
COD  A 289 ( 3.8A)
COD  A 289 ( 4.4A)
 0.98A 3lslA-3uf6A:
2.2
3lslD-3uf6A:
undetectable		 3lslA-3uf6A:
21.22
3lslD-3uf6A:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MB5_A_SAMA301_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 3gju PUTATIVE
AMINOTRANSFERASE
(Mesorhizobium
japonicum) 		5 / 12 GLY A 120
SER A 121
LEU A 118
ILE A 103
LEU A 291
 PLP  A 460 (-3.2A)
LLP  A 289 (-2.7A)
None
None
None
 1.03A 3mb5A-3gjuA:
undetectable		 3mb5A-3gjuA:
20.09
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.
3MJR_D_AC2D601_1
(DEOXYCYTIDINE KINASE)		 3ch0 GLYCEROPHOSPHODIESTE
R PHOSPHODIESTERASE
(Cytophaga
hutchinsonii) 		4 / 8 GLU A  62
GLN A 106
ARG A 102
PHE A 103
 EDO  A 273 (-3.0A)
None
GOL  A 289 (-2.7A)
None
 0.84A 3mjrD-3ch0A:
undetectable		 3mjrD-3ch0A:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OGP_B_017B200_2
(FIV PROTEASE)		 3rcm TATD FAMILY
HYDROLASE
(Pseudomonas
putida) 		5 / 9 ASP A   5
GLY A   7
ASP A 209
GLY A 178
LEU A 232
 None
None
CIT  A 289 (-3.3A)
None
None
 1.03A 3ogpB-3rcmA:
undetectable		 3ogpB-3rcmA:
17.84
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.
3PS9_A_SAMA670_0
(TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC)		 2p10 MLL9387 PROTEIN
(Mesorhizobium
japonicum) 		5 / 12 GLU A 262
GLY A  33
ASP A  49
ILE A  48
GLY A 257
 None
None
None
None
CL  A 289 (-3.6A)
 1.28A 3ps9A-2p10A:
undetectable		 3ps9A-2p10A:
17.31
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.
3SUG_A_SUEA1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER
(Escherichia
coli) 		5 / 12 GLY A 191
GLY A 229
THR A 213
ALA A 232
ASP A 214
 None
None
None
289  A 416 (-3.5A)
None
 1.10A 3sugA-4q1qA:
undetectable		 3sugA-4q1qA:
24.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TKA_A_SAMA400_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE H)		 2qvs CAMP-DEPENDENT
PROTEIN KINASE TYPE
II-ALPHA REGULATORY
SUBUNIT
(Mus
musculus) 		5 / 12 GLY B 349
GLY B 300
ARG B 283
SER B 303
GLU B 289
 GLY  B 349 ( 0.0A)
GLY  B 300 ( 0.0A)
ARG  B 283 ( 0.6A)
SER  B 303 ( 0.0A)
GLU  B 289 ( 0.6A)
 1.38A 3tkaA-2qvsB:
undetectable		 3tkaA-2qvsB:
21.95
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.
3TNE_B_RITB401_2
(SECRETED ASPARTIC
PROTEASE)		 3bwx ALPHA/BETA HYDROLASE
(Novosphingobium
aromaticivorans) 		4 / 7 VAL A 125
ILE A 277
THR A 267
TYR A 169
 None
None
EDO  A 289 (-2.9A)
None
 0.95A 3tneB-3bwxA:
undetectable		 3tneB-3bwxA:
21.94
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.
3VYW_A_SAMA501_0
(MNMC2)		 4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER
(Escherichia
coli) 		5 / 12 TYR A 205
GLY A 201
GLY A 221
LEU A 217
ASN A 199
 289  A 414 (-4.6A)
289  A 422 ( 4.0A)
None
None
None
 0.95A 3vywA-4q1qA:
undetectable		 3vywA-4q1qA:
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.
3VYW_D_SAMD401_0
(MNMC2)		 4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER
(Escherichia
coli) 		5 / 12 TYR A 205
GLY A 201
GLY A 221
LEU A 217
ASN A 199
 289  A 414 (-4.6A)
289  A 422 ( 4.0A)
None
None
None
 0.95A 3vywD-4q1qA:
undetectable		 3vywD-4q1qA:
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.
3WAR_A_NIOA401_1
(CASEIN KINASE II
SUBUNIT ALPHA)		 2iwi SERINE/THREONINE-PRO
TEIN KINASE PIM-2
(Homo
sapiens) 		4 / 8 VAL A  46
ILE A 100
ILE A 181
ASP A 182
 HB1  A1289 (-3.6A)
HB1  A1289 (-4.1A)
HB1  A1289 (-3.7A)
HB1  A1289 (-4.2A)
 0.71A 3warA-2iwiA:
24.4		 3warA-2iwiA:
24.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WRH_A_CAMA503_0
(CAMPHOR
5-MONOOXYGENASE)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 7 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 1.01A 3wrhA-5lmxC:
undetectable		 3wrhA-5lmxC:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WRH_E_CAME503_0
(CAMPHOR
5-MONOOXYGENASE)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 6 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 1.00A 3wrhE-5lmxC:
undetectable		 3wrhE-5lmxC:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WRJ_A_CAMA503_0
(CAMPHOR
5-MONOOXYGENASE)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 7 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 1.00A 3wrjA-5lmxC:
undetectable		 3wrjA-5lmxC:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WRJ_E_CAME503_0
(CAMPHOR
5-MONOOXYGENASE)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 6 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 1.01A 3wrjE-5lmxC:
undetectable		 3wrjE-5lmxC:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WRL_A_CAMA503_0
(CAMPHOR
5-MONOOXYGENASE)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 7 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 1.02A 3wrlA-5lmxC:
undetectable		 3wrlA-5lmxC:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WRM_A_CAMA503_0
(CAMPHOR
5-MONOOXYGENASE)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 7 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 1.03A 3wrmA-5lmxC:
undetectable		 3wrmA-5lmxC:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WRM_F_CAMF503_0
(CAMPHOR
5-MONOOXYGENASE)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 7 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 1.00A 3wrmF-5lmxC:
undetectable		 3wrmF-5lmxC:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WZD_A_LEVA1201_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 2iwi SERINE/THREONINE-PRO
TEIN KINASE PIM-2
(Homo
sapiens) 		6 / 12 LEU A  38
GLY A  39
VAL A  46
ALA A  59
GLU A  83
LEU A  87
 HB1  A1289 ( 4.1A)
HB1  A1289 (-3.1A)
HB1  A1289 (-3.6A)
HB1  A1289 ( 3.7A)
None
None
 0.87A 3wzdA-2iwiA:
16.3		 3wzdA-2iwiA:
23.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ZOD_A_HQEA1173_1
(FMN-BINDING PROTEIN)		 2yb4 AMIDOHYDROLASE
(Chromobacterium
violaceum) 		4 / 7 HIS A  75
ASP A  14
ARG A 134
HIS A 250
 None
None
SO4  A1289 (-3.9A)
None
 1.18A 3zodA-2yb4A:
undetectable		 3zodA-2yb4A:
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.
4AGC_A_AXIA2000_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 2iwi SERINE/THREONINE-PRO
TEIN KINASE PIM-2
(Homo
sapiens) 		6 / 12 LEU A  38
VAL A  46
ALA A  59
GLU A  83
LEU A  87
LEU A 170
 HB1  A1289 ( 4.1A)
HB1  A1289 (-3.6A)
HB1  A1289 ( 3.7A)
None
None
HB1  A1289 (-4.7A)
 0.58A 4agcA-2iwiA:
21.0		 4agcA-2iwiA:
24.27
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.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		 3rcm TATD FAMILY
HYDROLASE
(Pseudomonas
putida) 		5 / 12 ARG A 135
HIS A 133
ALA A 166
HIS A 158
ASP A 209
 CIT  A 289 (-4.0A)
ZN  A 288 ( 3.2A)
None
ZN  A 288 ( 3.2A)
CIT  A 289 (-3.3A)
 1.17A 4aqlA-3rcmA:
15.3		 4aqlA-3rcmA:
19.87
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.
4BLV_A_SAMA1281_1
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J)		 2x7v PROBABLE
ENDONUCLEASE 4
(Thermotoga
maritima) 		4 / 6 HIS A 230
HIS A 109
ASP A 188
ASP A 178
 ZN  A1289 (-3.2A)
ZN  A1287 (-3.3A)
None
ZN  A1288 (-3.1A)
 1.30A 4blvA-2x7vA:
undetectable		 4blvA-2x7vA:
23.12
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.
4C5L_A_UEGA300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 2p10 MLL9387 PROTEIN
(Mesorhizobium
japonicum) 		5 / 11 GLY A  31
ALA A 258
GLY A 257
VAL A  52
VAL A 187
 None
CL  A 290 (-4.0A)
CL  A 289 (-3.6A)
None
None
 1.27A 4c5lA-2p10A:
3.5		 4c5lA-2p10A:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C5L_B_PXLB300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 2p10 MLL9387 PROTEIN
(Mesorhizobium
japonicum) 		5 / 9 GLY A  31
ALA A 258
GLY A 257
VAL A  52
VAL A 187
 None
CL  A 290 (-4.0A)
CL  A 289 (-3.6A)
None
None
 1.22A 4c5lB-2p10A:
undetectable		 4c5lB-2p10A:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C5L_C_UEGC300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 2p10 MLL9387 PROTEIN
(Mesorhizobium
japonicum) 		5 / 10 GLY A  31
ALA A 258
GLY A 257
VAL A  52
VAL A 187
 None
CL  A 290 (-4.0A)
CL  A 289 (-3.6A)
None
None
 1.26A 4c5lC-2p10A:
3.4		 4c5lC-2p10A:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C5L_D_UEGD300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 2p10 MLL9387 PROTEIN
(Mesorhizobium
japonicum) 		5 / 10 GLY A  31
ALA A 258
GLY A 257
VAL A  52
VAL A 187
 None
CL  A 290 (-4.0A)
CL  A 289 (-3.6A)
None
None
 1.17A 4c5lD-2p10A:
3.4		 4c5lD-2p10A:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C5N_B_PXLB300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 2p10 MLL9387 PROTEIN
(Mesorhizobium
japonicum) 		5 / 10 GLY A  31
ALA A 258
GLY A 257
VAL A  52
VAL A 187
 None
CL  A 290 (-4.0A)
CL  A 289 (-3.6A)
None
None
 1.23A 4c5nB-2p10A:
2.9		 4c5nB-2p10A:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C5N_D_UEGD300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 2p10 MLL9387 PROTEIN
(Mesorhizobium
japonicum) 		5 / 10 GLY A  31
ALA A 258
GLY A 257
VAL A  52
VAL A 187
 None
CL  A 290 (-4.0A)
CL  A 289 (-3.6A)
None
None
 1.28A 4c5nD-2p10A:
3.8		 4c5nD-2p10A:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CKJ_A_ADNA2014_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET)		 2iwi SERINE/THREONINE-PRO
TEIN KINASE PIM-2
(Homo
sapiens) 		6 / 10 LEU A  38
GLY A  39
GLY A  41
VAL A  46
ALA A  59
LEU A 170
 HB1  A1289 ( 4.1A)
HB1  A1289 (-3.1A)
None
HB1  A1289 (-3.6A)
HB1  A1289 ( 3.7A)
HB1  A1289 (-4.7A)
 0.60A 4ckjA-2iwiA:
25.1		 4ckjA-2iwiA:
26.48
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.
4DUB_B_LDPB501_1
(CYTOCHROME P450 BM3
VARIANT 9D7)		 3r9r PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE
(Mycobacteroides
abscessus) 		4 / 6 PHE A 289
ALA A  55
GLY A 294
PRO A 295
 PHE  A 289 ( 1.3A)
ALA  A  55 ( 0.0A)
GLY  A 294 ( 0.0A)
PRO  A 295 ( 1.1A)
 0.87A 4dubB-3r9rA:
undetectable		 4dubB-3r9rA:
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.
4EK1_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 6 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 1.03A 4ek1A-5lmxC:
undetectable		 4ek1A-5lmxC:
22.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EYR_B_RITB301_1
(HIV-1 PROTEASE)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		4 / 7 ALA A 289
VAL A 259
ILE A 314
THR A 283
 ALA  A 289 ( 0.0A)
VAL  A 259 ( 0.6A)
ILE  A 314 ( 0.4A)
THR  A 283 ( 0.8A)
 0.89A 4eyrA-2nvvA:
undetectable		 4eyrA-2nvvA:
14.07
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.
4G3R_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 6 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 1.02A 4g3rA-5lmxC:
undetectable		 4g3rA-5lmxC:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G3R_B_CAMB502_0
(CAMPHOR
5-MONOOXYGENASE)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 6 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 1.02A 4g3rB-5lmxC:
undetectable		 4g3rB-5lmxC:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4I13_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 3ch0 GLYCEROPHOSPHODIESTE
R PHOSPHODIESTERASE
(Cytophaga
hutchinsonii) 		3 / 3 ASP A 219
ARG A 102
THR A 221
 EDO  A 275 ( 2.7A)
GOL  A 289 (-2.7A)
EDO  A 274 (-3.0A)
 0.87A 4i13A-3ch0A:
undetectable		 4i13A-3ch0A:
20.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4I41_A_MIXA500_1
(SERINE/THREONINE-PRO
TEIN KINASE PIM-1)		 2iwi SERINE/THREONINE-PRO
TEIN KINASE PIM-2
(Homo
sapiens) 		12 / 12 PHE A  43
VAL A  46
ALA A  59
ILE A 100
ASP A 124
ASP A 127
ASP A 163
LYS A 165
ASN A 168
LEU A 170
ILE A 181
ASP A 182
 HB1  A1289 (-3.9A)
HB1  A1289 (-3.6A)
HB1  A1289 ( 3.7A)
HB1  A1289 (-4.1A)
HB1  A1289 (-3.6A)
None
None
None
HB1  A1289 ( 4.9A)
HB1  A1289 (-4.7A)
HB1  A1289 (-3.7A)
HB1  A1289 (-4.2A)
 0.61A 4i41A-2iwiA:
36.6		 4i41A-2iwiA:
55.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4I41_A_MIXA500_2
(SERINE/THREONINE-PRO
TEIN KINASE PIM-1)		 2iwi SERINE/THREONINE-PRO
TEIN KINASE PIM-2
(Homo
sapiens) 		4 / 4 LEU A  38
LEU A 116
GLN A 123
GLU A 167
 HB1  A1289 ( 4.1A)
HB1  A1289 (-3.1A)
None
HB1  A1289 (-3.7A)
 0.75A 4i41A-2iwiA:
36.6		 4i41A-2iwiA:
55.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IAA_A_RTZA401_1
(SERINE/THREONINE-PRO
TEIN KINASE PIM-1)		 2iwi SERINE/THREONINE-PRO
TEIN KINASE PIM-2
(Homo
sapiens) 		7 / 11 PHE A  43
LEU A 116
ASP A 124
GLU A 167
LEU A 170
ILE A 181
ASP A 182
 HB1  A1289 (-3.9A)
HB1  A1289 (-3.1A)
HB1  A1289 (-3.6A)
HB1  A1289 (-3.7A)
HB1  A1289 (-4.7A)
HB1  A1289 (-3.7A)
HB1  A1289 (-4.2A)
 0.87A 4iaaA-2iwiA:
36.3		 4iaaA-2iwiA:
56.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IAA_A_RTZA401_1
(SERINE/THREONINE-PRO
TEIN KINASE PIM-1)		 2iwi SERINE/THREONINE-PRO
TEIN KINASE PIM-2
(Homo
sapiens) 		8 / 11 PHE A  43
VAL A  46
ALA A  59
LEU A 116
ASP A 124
LEU A 170
ILE A 181
ASP A 182
 HB1  A1289 (-3.9A)
HB1  A1289 (-3.6A)
HB1  A1289 ( 3.7A)
HB1  A1289 (-3.1A)
HB1  A1289 (-3.6A)
HB1  A1289 (-4.7A)
HB1  A1289 (-3.7A)
HB1  A1289 (-4.2A)
 0.76A 4iaaA-2iwiA:
36.3		 4iaaA-2iwiA:
56.58
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.
4IIL_A_RBFA401_2
(MEMBRANE LIPOPROTEIN
TPN38(B))		 1txz HYPOTHETICAL 32.1
KDA PROTEIN IN
ADH3-RCA1 INTERGENIC
REGION
(Saccharomyces
cerevisiae) 		4 / 8 PRO A  78
VAL A 146
ASN A 176
ILE A 190
 NA  A 289 ( 4.0A)
None
SO4  A 287 (-3.8A)
None
 0.96A 4iilA-1txzA:
undetectable		 4iilA-1txzA:
23.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IKL_B_SUZB201_1
(TRANSTHYRETIN)		 4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER
(Escherichia
coli) 		4 / 8 SER A 267
ALA A 232
SER A 248
THR A 250
 289  A 417 (-2.6A)
289  A 416 (-3.5A)
289  A 417 (-1.3A)
289  A 416 ( 2.7A)
 0.93A 4iklA-4q1qA:
undetectable
4iklB-4q1qA:
undetectable		 4iklA-4q1qA:
17.88
4iklB-4q1qA:
17.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IR0_A_FCNA202_1
(METALLOTHIOL
TRANSFERASE FOSB 2)		 2wl3 CATECHOL
2,3-DIOXYGENASE
(Rhodococcus
sp.
DK17) 		5 / 11 HIS A 212
TYR A 253
GLU A 263
HIS A 149
ALA A 200
 FE  A1289 (-3.6A)
None
FE  A1289 (-2.7A)
FE  A1289 (-3.5A)
None
 0.68A 4ir0A-2wl3A:
7.4
4ir0B-2wl3A:
7.7		 4ir0A-2wl3A:
19.87
4ir0B-2wl3A:
19.87
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.
4IR0_B_FCNB202_1
(METALLOTHIOL
TRANSFERASE FOSB 2)		 2wl3 CATECHOL
2,3-DIOXYGENASE
(Rhodococcus
sp.
DK17) 		5 / 11 HIS A 149
ALA A 200
HIS A 212
TYR A 253
GLU A 263
 FE  A1289 (-3.5A)
None
FE  A1289 (-3.6A)
None
FE  A1289 (-2.7A)
 0.60A 4ir0A-2wl3A:
7.4
4ir0B-2wl3A:
7.7		 4ir0A-2wl3A:
19.87
4ir0B-2wl3A:
19.87
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.
4JD1_A_FCNA202_1
(METALLOTHIOL
TRANSFERASE FOSB 2)		 2wl3 CATECHOL
2,3-DIOXYGENASE
(Rhodococcus
sp.
DK17) 		5 / 12 HIS A 212
TYR A 253
GLU A 263
HIS A 149
ALA A 200
 FE  A1289 (-3.6A)
None
FE  A1289 (-2.7A)
FE  A1289 (-3.5A)
None
 0.62A 4jd1A-2wl3A:
7.4
4jd1B-2wl3A:
7.5		 4jd1A-2wl3A:
19.87
4jd1B-2wl3A:
19.87
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.
4JD1_B_FCNB203_1
(METALLOTHIOL
TRANSFERASE FOSB 2)		 2wl3 CATECHOL
2,3-DIOXYGENASE
(Rhodococcus
sp.
DK17) 		5 / 12 HIS A 149
ALA A 200
HIS A 212
TYR A 253
GLU A 263
 FE  A1289 (-3.5A)
None
FE  A1289 (-3.6A)
None
FE  A1289 (-2.7A)
 0.72A 4jd1A-2wl3A:
7.4
4jd1B-2wl3A:
7.5		 4jd1A-2wl3A:
19.87
4jd1B-2wl3A:
19.87
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.
4JH3_A_FCNA204_1
(METALLOTHIOL
TRANSFERASE FOSB)		 2wl3 CATECHOL
2,3-DIOXYGENASE
(Rhodococcus
sp.
DK17) 		5 / 12 HIS A 212
TYR A 253
GLU A 263
HIS A 149
ALA A 200
 FE  A1289 (-3.6A)
None
FE  A1289 (-2.7A)
FE  A1289 (-3.5A)
None
 0.59A 4jh3A-2wl3A:
3.5
4jh3B-2wl3A:
7.3		 4jh3A-2wl3A:
23.46
4jh3B-2wl3A:
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.
4JH3_B_FCNB203_1
(METALLOTHIOL
TRANSFERASE FOSB)		 2wl3 CATECHOL
2,3-DIOXYGENASE
(Rhodococcus
sp.
DK17) 		5 / 11 HIS A 149
ALA A 200
HIS A 212
TYR A 253
GLU A 263
 FE  A1289 (-3.5A)
None
FE  A1289 (-3.6A)
None
FE  A1289 (-2.7A)
 0.57A 4jh3A-2wl3A:
3.5
4jh3B-2wl3A:
7.3		 4jh3A-2wl3A:
23.46
4jh3B-2wl3A:
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.
4JH4_A_FCNA202_1
(METALLOTHIOL
TRANSFERASE FOSB)		 2wl3 CATECHOL
2,3-DIOXYGENASE
(Rhodococcus
sp.
DK17) 		5 / 11 HIS A 212
TYR A 253
GLU A 263
HIS A 149
ALA A 200
 FE  A1289 (-3.6A)
None
FE  A1289 (-2.7A)
FE  A1289 (-3.5A)
None
 0.57A 4jh4A-2wl3A:
7.3
4jh4B-2wl3A:
7.2		 4jh4A-2wl3A:
23.46
4jh4B-2wl3A:
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.
4JH4_B_FCNB202_1
(METALLOTHIOL
TRANSFERASE FOSB)		 2wl3 CATECHOL
2,3-DIOXYGENASE
(Rhodococcus
sp.
DK17) 		5 / 11 HIS A 149
ALA A 200
HIS A 212
TYR A 253
GLU A 263
 FE  A1289 (-3.5A)
None
FE  A1289 (-3.6A)
None
FE  A1289 (-2.7A)
 0.58A 4jh4A-2wl3A:
7.3
4jh4B-2wl3A:
7.2		 4jh4A-2wl3A:
23.46
4jh4B-2wl3A:
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.
4JH5_A_FCNA202_1
(METALLOTHIOL
TRANSFERASE FOSB)		 2wl3 CATECHOL
2,3-DIOXYGENASE
(Rhodococcus
sp.
DK17) 		5 / 11 HIS A 212
TYR A 253
GLU A 263
HIS A 149
ALA A 200
 FE  A1289 (-3.6A)
None
FE  A1289 (-2.7A)
FE  A1289 (-3.5A)
None
 0.57A 4jh5A-2wl3A:
7.2
4jh5B-2wl3A:
7.2		 4jh5A-2wl3A:
23.46
4jh5B-2wl3A:
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.
4JH5_B_FCNB203_1
(METALLOTHIOL
TRANSFERASE FOSB)		 2wl3 CATECHOL
2,3-DIOXYGENASE
(Rhodococcus
sp.
DK17) 		5 / 11 HIS A 149
ALA A 200
HIS A 212
TYR A 253
GLU A 263
 FE  A1289 (-3.5A)
None
FE  A1289 (-3.6A)
None
FE  A1289 (-2.7A)
 0.58A 4jh5A-2wl3A:
7.2
4jh5B-2wl3A:
7.2		 4jh5A-2wl3A:
23.46
4jh5B-2wl3A:
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.
4JH6_A_FCNA202_1
(METALLOTHIOL
TRANSFERASE FOSB)		 2wl3 CATECHOL
2,3-DIOXYGENASE
(Rhodococcus
sp.
DK17) 		5 / 10 HIS A 212
TYR A 253
GLU A 263
HIS A 149
ALA A 200
 FE  A1289 (-3.6A)
None
FE  A1289 (-2.7A)
FE  A1289 (-3.5A)
None
 0.59A 4jh6A-2wl3A:
7.3
4jh6B-2wl3A:
7.3		 4jh6A-2wl3A:
23.46
4jh6B-2wl3A:
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.
4JH6_B_FCNB202_1
(METALLOTHIOL
TRANSFERASE FOSB)		 2wl3 CATECHOL
2,3-DIOXYGENASE
(Rhodococcus
sp.
DK17) 		5 / 10 HIS A 149
ALA A 200
HIS A 212
TYR A 253
GLU A 263
 FE  A1289 (-3.5A)
None
FE  A1289 (-3.6A)
None
FE  A1289 (-2.7A)
 0.60A 4jh6A-2wl3A:
7.3
4jh6B-2wl3A:
7.3		 4jh6A-2wl3A:
23.46
4jh6B-2wl3A:
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.
4JH8_A_FCNA204_1
(METALLOTHIOL
TRANSFERASE FOSB)		 2wl3 CATECHOL
2,3-DIOXYGENASE
(Rhodococcus
sp.
DK17) 		5 / 10 HIS A 212
TYR A 253
GLU A 263
HIS A 149
ALA A 200
 FE  A1289 (-3.6A)
None
FE  A1289 (-2.7A)
FE  A1289 (-3.5A)
None
 0.58A 4jh8A-2wl3A:
7.2
4jh8B-2wl3A:
7.2		 4jh8A-2wl3A:
23.46
4jh8B-2wl3A:
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.
4JH8_B_FCNB203_1
(METALLOTHIOL
TRANSFERASE FOSB)		 2wl3 CATECHOL
2,3-DIOXYGENASE
(Rhodococcus
sp.
DK17) 		5 / 10 HIS A 149
ALA A 200
HIS A 212
TYR A 253
GLU A 263
 FE  A1289 (-3.5A)
None
FE  A1289 (-3.6A)
None
FE  A1289 (-2.7A)
 0.57A 4jh8A-2wl3A:
7.2
4jh8B-2wl3A:
7.2		 4jh8A-2wl3A:
23.46
4jh8B-2wl3A:
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.
4K17_B_OHBB701_0
(LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 16A)		 4kqn D-HYDANTOINASE
(Bacillus
sp.
AR9) 		4 / 5 GLU A 185
ARG A 212
PRO A 289
SER A 241
 GLU  A 185 ( 0.5A)
ARG  A 212 ( 0.6A)
PRO  A 289 ( 1.1A)
SER  A 241 ( 0.0A)
 1.38A 4k17B-4kqnA:
undetectable		 4k17B-4kqnA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KKY_X_CAMX503_0
(CAMPHOR
5-MONOOXYGENASE)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 6 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 0.96A 4kkyX-5lmxC:
undetectable		 4kkyX-5lmxC:
22.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KMM_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)		 1wly 2-HALOACRYLATE
REDUCTASE
(Burkholderia
sp.
WS) 		4 / 5 MET A 127
LEU A 289
ARG A  87
SER A 326
 MET  A 127 ( 0.0A)
LEU  A 289 ( 0.6A)
ARG  A  87 ( 0.6A)
SER  A 326 ( 0.0A)
 1.49A 4kmmB-1wlyA:
3.9		 4kmmB-1wlyA:
22.00
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.
4L4C_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 6 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 1.04A 4l4cA-5lmxC:
undetectable		 4l4cA-5lmxC:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L4G_A_CAMA503_0
(CAMPHOR
5-MONOOXYGENASE)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 7 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 0.97A 4l4gA-5lmxC:
undetectable		 4l4gA-5lmxC:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NJT_D_017D101_1
(PROTEASE)		 1omo ALANINE
DEHYDROGENASE
(Archaeoglobus
fulgidus) 		5 / 11 LEU A 191
ASP A 289
ILE A 236
THR A 211
ILE A 213
 LEU  A 191 ( 0.6A)
ASP  A 289 ( 0.6A)
ILE  A 236 ( 0.7A)
THR  A 211 ( 0.8A)
ILE  A 213 ( 0.7A)
 0.93A 4njtC-1omoA:
undetectable		 4njtC-1omoA:
14.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4O0W_A_ADNA501_1
(AURORA KINASE A)		 2iwi SERINE/THREONINE-PRO
TEIN KINASE PIM-2
(Homo
sapiens) 		5 / 6 LEU A  38
GLY A  39
VAL A  46
ALA A  59
LEU A 170
 HB1  A1289 ( 4.1A)
HB1  A1289 (-3.1A)
HB1  A1289 (-3.6A)
HB1  A1289 ( 3.7A)
HB1  A1289 (-4.7A)
 0.76A 4o0wA-2iwiA:
23.0		 4o0wA-2iwiA:
31.14
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.
4O1Z_B_MXMB807_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 3ghg FIBRINOGEN GAMMA
CHAIN
(Homo
sapiens) 		6 / 12 MET C 384
VAL C 248
LEU C 246
LEU C 344
PHE C 295
ALA C 289
 MET  C 384 ( 0.0A)
VAL  C 248 ( 0.6A)
LEU  C 246 ( 0.6A)
LEU  C 344 ( 0.6A)
PHE  C 295 ( 1.3A)
ALA  C 289 ( 0.0A)
 1.50A 4o1zB-3ghgC:
undetectable		 4o1zB-3ghgC:
21.27
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.
4OGR_A_ADNA401_1
(CYCLIN-DEPENDENT
KINASE 9)		 2iwi SERINE/THREONINE-PRO
TEIN KINASE PIM-2
(Homo
sapiens) 		5 / 8 VAL A  46
ALA A  59
ASP A 124
ASN A 168
ASP A 182
 HB1  A1289 (-3.6A)
HB1  A1289 ( 3.7A)
HB1  A1289 (-3.6A)
HB1  A1289 ( 4.9A)
HB1  A1289 (-4.2A)
 0.60A 4ogrA-2iwiA:
16.9		 4ogrA-2iwiA:
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.
4OKX_A_198A1002_2
(ANDROGEN RECEPTOR)		 3oix DIHYDROOROTATE
OXIDASE
PUTATIVE
DIHYDROOROTATE
DEHYDROGENASE
(Streptococcus
mutans) 		4 / 6 LEU A  17
MET A 292
LEU A 300
ILE A   8
 None
MLY  A 289 ( 4.5A)
None
None
 0.89A 4okxA-3oixA:
undetectable		 4okxA-3oixA:
18.29
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.
4P3R_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 3ch0 GLYCEROPHOSPHODIESTE
R PHOSPHODIESTERASE
(Cytophaga
hutchinsonii) 		3 / 3 ASP A 219
ARG A 102
THR A 221
 EDO  A 275 ( 2.7A)
GOL  A 289 (-2.7A)
EDO  A 274 (-3.0A)
 0.84A 4p3rA-3ch0A:
undetectable		 4p3rA-3ch0A:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PEV_B_ADNB501_2
(MEMBRANE LIPOPROTEIN
FAMILY PROTEIN)		 4hne PHOSPHATIDYLINOSITOL
4-KINASE TYPE
2-ALPHA
(Homo
sapiens) 		3 / 3 PRO A 283
LEU A 282
GLN A 289
 PRO  A 283 ( 1.1A)
LEU  A 282 ( 0.6A)
GLN  A 289 ( 0.6A)
 0.58A 4pevB-4hneA:
undetectable		 4pevB-4hneA:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QC6_B_KANB201_1
(BIFUNCTIONAL AAC/APH)		 2p10 MLL9387 PROTEIN
(Mesorhizobium
japonicum) 		5 / 12 TYR A  54
GLY A  33
HIS A 232
TYR A 168
GLU A 262
 CL  A 290 (-4.8A)
None
CL  A 289 (-4.5A)
None
None
 1.32A 4qc6B-2p10A:
0.0		 4qc6B-2p10A:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QRC_A_0LIA802_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 2iwi SERINE/THREONINE-PRO
TEIN KINASE PIM-2
(Homo
sapiens) 		5 / 8 LEU A  38
VAL A  46
ALA A 122
HIS A 161
LEU A 170
 HB1  A1289 ( 4.1A)
HB1  A1289 (-3.6A)
HB1  A1289 ( 4.4A)
None
HB1  A1289 (-4.7A)
 1.19A 4qrcA-2iwiA:
22.0		 4qrcA-2iwiA:
28.00
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.
4QRC_A_0LIA802_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 2iwi SERINE/THREONINE-PRO
TEIN KINASE PIM-2
(Homo
sapiens) 		5 / 8 LEU A  38
VAL A  46
ILE A 100
HIS A 161
LEU A 170
 HB1  A1289 ( 4.1A)
HB1  A1289 (-3.6A)
HB1  A1289 (-4.1A)
None
HB1  A1289 (-4.7A)
 0.70A 4qrcA-2iwiA:
22.0		 4qrcA-2iwiA:
28.00
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.
4RDX_A_HISA502_0
(HISTIDINE--TRNA
LIGASE)		 3gju PUTATIVE
AMINOTRANSFERASE
(Mesorhizobium
japonicum) 		4 / 7 GLU A 227
ARG A 378
GLY A 234
GLY A 231
 LLP  A 289 (-3.7A)
None
None
None
 0.79A 4rdxA-3gjuA:
undetectable		 4rdxA-3gjuA:
23.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TVT_A_ASCA301_0
(THAUMATIN-1)		 4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER
(Escherichia
coli) 		3 / 3 THR A 180
ASN A 161
SER A 162
 None
None
289  A 421 ( 1.3A)
 0.59A 4tvtA-4q1qA:
undetectable		 4tvtA-4q1qA:
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.
4TWD_F_377F401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 2f07 YVDT
(Bacillus
subtilis) 		4 / 7 GLU A 160
GLU A 164
TYR A 106
TYR A 122
 BTB  A 289 (-3.3A)
BTB  A 289 (-4.0A)
BTB  A 289 (-4.8A)
BTB  A 289 (-3.8A)
 1.19A 4twdF-2f07A:
undetectable
4twdJ-2f07A:
undetectable		 4twdF-2f07A:
19.74
4twdJ-2f07A:
19.74
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.
4TWD_F_377F401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 2f07 YVDT
(Bacillus
subtilis) 		4 / 7 GLU A 164
GLU A 160
TYR A 122
TYR A 106
 BTB  A 289 (-4.0A)
BTB  A 289 (-3.3A)
BTB  A 289 (-3.8A)
BTB  A 289 (-4.8A)
 1.07A 4twdF-2f07A:
undetectable
4twdJ-2f07A:
undetectable		 4twdF-2f07A:
19.74
4twdJ-2f07A:
19.74
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.
4TWD_H_377H401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 2f07 YVDT
(Bacillus
subtilis) 		4 / 6 TYR A 106
GLU A 164
GLU A 160
TYR A 122
 BTB  A 289 (-4.8A)
BTB  A 289 (-4.0A)
BTB  A 289 (-3.3A)
BTB  A 289 (-3.8A)
 1.10A 4twdG-2f07A:
undetectable
4twdH-2f07A:
1.9		 4twdG-2f07A:
19.74
4twdH-2f07A:
19.74
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.
4TWD_H_377H401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 2f07 YVDT
(Bacillus
subtilis) 		4 / 6 TYR A 122
GLU A 160
GLU A 164
TYR A 106
 BTB  A 289 (-3.8A)
BTB  A 289 (-3.3A)
BTB  A 289 (-4.0A)
BTB  A 289 (-4.8A)
 1.24A 4twdG-2f07A:
undetectable
4twdH-2f07A:
1.9		 4twdG-2f07A:
19.74
4twdH-2f07A:
19.74
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.
4TWD_H_377H402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 2f07 YVDT
(Bacillus
subtilis) 		4 / 5 TYR A 106
GLU A 164
GLU A 160
TYR A 122
 BTB  A 289 (-4.8A)
BTB  A 289 (-4.0A)
BTB  A 289 (-3.3A)
BTB  A 289 (-3.8A)
 1.06A 4twdH-2f07A:
1.9
4twdI-2f07A:
undetectable		 4twdH-2f07A:
19.74
4twdI-2f07A:
19.74
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.
4TWD_H_377H402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 2f07 YVDT
(Bacillus
subtilis) 		4 / 5 TYR A 122
GLU A 160
GLU A 164
TYR A 106
 BTB  A 289 (-3.8A)
BTB  A 289 (-3.3A)
BTB  A 289 (-4.0A)
BTB  A 289 (-4.8A)
 1.19A 4twdH-2f07A:
1.9
4twdI-2f07A:
undetectable		 4twdH-2f07A:
19.74
4twdI-2f07A:
19.74
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.
4UCK_A_SAMA2409_0
(RNA-DIRECTED RNA
POLYMERASE L)		 3gju PUTATIVE
AMINOTRANSFERASE
(Mesorhizobium
japonicum) 		6 / 12 GLY A 120
GLY A 157
SER A 119
LEU A 118
ALA A 288
ALA A 123
 PLP  A 460 (-3.2A)
None
PLP  A 460 (-3.6A)
None
LLP  A 289 ( 2.8A)
None
 1.34A 4uckA-3gjuA:
undetectable		 4uckA-3gjuA:
22.04
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.
4XDT_A_ACTA407_0
(FAD:PROTEIN FMN
TRANSFERASE)		 3rcm TATD FAMILY
HYDROLASE
(Pseudomonas
putida) 		3 / 3 ASP A 209
GLY A   7
ASP A   5
 CIT  A 289 (-3.3A)
None
None
 0.64A 4xdtA-3rcmA:
undetectable		 4xdtA-3rcmA:
23.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZDZ_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3c8e YGHU, GLUTATHIONE
S-TRANSFERASE
HOMOLOGUE
(Escherichia
coli) 		4 / 7 ILE A  82
GLY A  55
THR A  59
LEU A  47
 GSH  A 289 (-3.7A)
None
None
None
 0.92A 4zdzA-3c8eA:
undetectable		 4zdzA-3c8eA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZE3_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3c8e YGHU, GLUTATHIONE
S-TRANSFERASE
HOMOLOGUE
(Escherichia
coli) 		4 / 7 ILE A  82
GLY A  55
THR A  59
LEU A  47
 GSH  A 289 (-3.7A)
None
None
None
 0.92A 4ze3A-3c8eA:
undetectable		 4ze3A-3c8eA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZN7_A_DESA601_1
(ESTROGEN RECEPTOR)		 5ep8 PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE
(Bacillus
subtilis) 		5 / 12 LEU A 289
ALA A 292
GLU A 291
MET A 233
LEU A 296
 LEU  A 289 ( 0.6A)
ALA  A 292 ( 0.0A)
GLU  A 291 ( 0.6A)
MET  A 233 ( 0.0A)
LEU  A 296 ( 0.5A)
 1.02A 4zn7A-5ep8A:
undetectable		 4zn7A-5ep8A:
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.
5A06_D_SORD1343_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 5xyi RIBOSOMAL PROTEIN
S19E, PUTATIVE
(Trichomonas
vaginalis) 		4 / 5 ALA T  47
ARG T  63
HIS T  99
ALA T  88
 None
G  21289 ( 4.0A)
A  21331 ( 4.2A)
A  21332 ( 4.9A)
 1.18A 5a06C-5xyiT:
undetectable
5a06D-5xyiT:
undetectable		 5a06C-5xyiT:
18.08
5a06D-5xyiT:
18.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B1B_G_CHDG103_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		 4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER
(Escherichia
coli) 		5 / 11 ARG A 207
GLY A 229
GLN A 204
THR A 215
THR A 234
 289  A 414 ( 3.6A)
None
None
None
None
 1.35A 5b1bG-4q1qA:
undetectable
5b1bN-4q1qA:
undetectable
5b1bO-4q1qA:
undetectable		 5b1bG-4q1qA:
12.16
5b1bN-4q1qA:
21.89
5b1bO-4q1qA:
19.41
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.
5BTI_F_LFXF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 3ch0 GLYCEROPHOSPHODIESTE
R PHOSPHODIESTERASE
(Cytophaga
hutchinsonii) 		4 / 5 SER A 105
ARG A  14
GLY A  15
GLU A  40
 EDO  A 286 (-3.9A)
GOL  A 289 ( 2.8A)
None
CIT  A 272 (-3.6A)
 1.14A 5btiC-3ch0A:
undetectable
5btiD-3ch0A:
undetectable		 5btiC-3ch0A:
20.60
5btiD-3ch0A:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CU6_A_ACTA403_0
(CASEIN KINASE II
SUBUNIT ALPHA)		 3uf6 LMO1369 PROTEIN
(Listeria
monocytogenes) 		4 / 6 TYR A 241
ILE A 122
VAL A 245
ALA A 250
 COD  A 289 (-4.1A)
None
None
None
 0.78A 5cu6A-3uf6A:
undetectable		 5cu6A-3uf6A:
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.
5EEU_H_TRPH101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 6ck9 GP120 OF ENVELOPE
GLYCOPROTEIN GP160
(Human
immunodeficiency
virus
1) 		5 / 10 ARG G 344
GLY G 451
HIS G 287
THR G 341
ILE G 449
 NAG  G2891 (-3.7A)
None
None
None
None
 1.38A 5eeuH-6ck9G:
undetectable
5eeuI-6ck9G:
undetectable		 5eeuH-6ck9G:
undetectable
5eeuI-6ck9G:
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.
5EEU_J_TRPJ101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 6ck9 GP120 OF ENVELOPE
GLYCOPROTEIN GP160
(Human
immunodeficiency
virus
1) 		5 / 10 ARG G 344
GLY G 451
HIS G 287
THR G 341
ILE G 449
 NAG  G2891 (-3.7A)
None
None
None
None
 1.39A 5eeuJ-6ck9G:
undetectable
5eeuK-6ck9G:
undetectable		 5eeuJ-6ck9G:
undetectable
5eeuK-6ck9G:
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.
5EEV_J_TRPJ101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 6ck9 GP120 OF ENVELOPE
GLYCOPROTEIN GP160
(Human
immunodeficiency
virus
1) 		5 / 10 ARG G 344
GLY G 451
HIS G 287
THR G 341
ILE G 449
 NAG  G2891 (-3.7A)
None
None
None
None
 1.39A 5eevJ-6ck9G:
undetectable
5eevK-6ck9G:
undetectable		 5eevJ-6ck9G:
undetectable
5eevK-6ck9G:
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.
5EEW_H_TRPH101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 6ck9 GP120 OF ENVELOPE
GLYCOPROTEIN GP160
(Human
immunodeficiency
virus
1) 		5 / 10 ARG G 344
GLY G 451
HIS G 287
THR G 341
ILE G 449
 NAG  G2891 (-3.7A)
None
None
None
None
 1.38A 5eewH-6ck9G:
undetectable
5eewI-6ck9G:
undetectable		 5eewH-6ck9G:
undetectable
5eewI-6ck9G:
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.
5EEW_J_TRPJ101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 6ck9 GP120 OF ENVELOPE
GLYCOPROTEIN GP160
(Human
immunodeficiency
virus
1) 		5 / 10 ARG G 344
GLY G 451
HIS G 287
THR G 341
ILE G 449
 NAG  G2891 (-3.7A)
None
None
None
None
 1.39A 5eewJ-6ck9G:
undetectable
5eewK-6ck9G:
undetectable		 5eewJ-6ck9G:
undetectable
5eewK-6ck9G:
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.
5EEX_H_TRPH101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 6ck9 GP120 OF ENVELOPE
GLYCOPROTEIN GP160
(Human
immunodeficiency
virus
1) 		5 / 10 ARG G 344
GLY G 451
HIS G 287
THR G 341
ILE G 449
 NAG  G2891 (-3.7A)
None
None
None
None
 1.38A 5eexH-6ck9G:
undetectable
5eexI-6ck9G:
undetectable		 5eexH-6ck9G:
undetectable
5eexI-6ck9G:
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.
5EEX_J_TRPJ101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 6ck9 GP120 OF ENVELOPE
GLYCOPROTEIN GP160
(Human
immunodeficiency
virus
1) 		5 / 10 ARG G 344
GLY G 451
HIS G 287
THR G 341
ILE G 449
 NAG  G2891 (-3.7A)
None
None
None
None
 1.39A 5eexJ-6ck9G:
undetectable
5eexK-6ck9G:
undetectable		 5eexJ-6ck9G:
undetectable
5eexK-6ck9G:
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.
5EEY_J_TRPJ101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 6ck9 GP120 OF ENVELOPE
GLYCOPROTEIN GP160
(Human
immunodeficiency
virus
1) 		5 / 10 ARG G 344
GLY G 451
HIS G 287
THR G 341
ILE G 449
 NAG  G2891 (-3.7A)
None
None
None
None
 1.39A 5eeyJ-6ck9G:
undetectable
5eeyK-6ck9G:
undetectable		 5eeyJ-6ck9G:
undetectable
5eeyK-6ck9G:
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.
5ESF_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3c8e YGHU, GLUTATHIONE
S-TRANSFERASE
HOMOLOGUE
(Escherichia
coli) 		4 / 8 ILE A  82
GLY A  55
THR A  59
LEU A  47
 GSH  A 289 (-3.7A)
None
None
None
 0.89A 5esfA-3c8eA:
undetectable		 5esfA-3c8eA:
19.48
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.
5ESJ_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3c8e YGHU, GLUTATHIONE
S-TRANSFERASE
HOMOLOGUE
(Escherichia
coli) 		4 / 8 ILE A  82
GLY A  55
THR A  59
LEU A  47
 GSH  A 289 (-3.7A)
None
None
None
 0.88A 5esjA-3c8eA:
undetectable		 5esjA-3c8eA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		 4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER
(Escherichia
coli) 		6 / 12 GLY A 228
VAL A 206
ALA A 212
THR A 215
ALA A 232
GLY A 221
 None
None
None
None
289  A 416 (-3.5A)
None
 1.32A 5hesA-4q1qA:
undetectable		 5hesA-4q1qA:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HP1_A_PPFA602_1
(HIV-1 REVERSE
TRANSCRIPTASE P66
SUBUNIT)		 2bod ENDOGLUCANASE E-2
(Thermobifida
fusca) 		4 / 6 LYS X 259
ARG X 221
GLY X 266
ASP X 233
 BGC  X1289 ( 2.7A)
BGC  X1289 ( 4.7A)
None
None
 1.20A 5hp1A-2bodX:
undetectable		 5hp1A-2bodX:
18.43
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.
5HS1_A_VORA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3c8e YGHU, GLUTATHIONE
S-TRANSFERASE
HOMOLOGUE
(Escherichia
coli) 		4 / 8 ILE A  82
GLY A  55
THR A  59
LEU A  47
 GSH  A 289 (-3.7A)
None
None
None
 0.81A 5hs1A-3c8eA:
2.2		 5hs1A-3c8eA:
18.76
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.
5IKT_A_TLFA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 2ykf PROBABLE SENSOR
HISTIDINE KINASE
PDTAS
(Mycobacterium
tuberculosis) 		3 / 3 LEU A 277
TYR A 146
SER A 194
 None
SO4  A1287 (-4.8A)
BR  A1289 ( 4.0A)
 0.88A 5iktA-2ykfA:
undetectable		 5iktA-2ykfA:
19.93
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.
5J5X_B_AZ1B2_1
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA
47P-AZ1-DAL-DAR-DAR-
DAR-DAR)		 2iwi SERINE/THREONINE-PRO
TEIN KINASE PIM-2
(Homo
sapiens) 		4 / 7 GLY A  39
GLY A  41
VAL A  46
ASP A 182
 HB1  A1289 (-3.1A)
None
HB1  A1289 (-3.6A)
HB1  A1289 (-4.2A)
 0.45A 5j5xA-2iwiA:
21.3		 5j5xA-2iwiA:
24.79
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.
5KOC_B_SAMB401_0
(PAVINE
N-METHYLTRANSFERASE)		 3mg9 TEG12
(uncultured
soil
bacterium) 		5 / 12 GLY A  14
SER A  98
THR A  16
VAL A  18
LEU A  88
 None
None
FMT  A 289 ( 4.7A)
None
None
 1.13A 5kocB-3mg9A:
undetectable		 5kocB-3mg9A:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M45_A_ACTA803_0
(ACETONE CARBOXYLASE
ALPHA SUBUNIT)		 3gju PUTATIVE
AMINOTRANSFERASE
(Mesorhizobium
japonicum) 		4 / 4 GLU A 227
PRO A 228
ILE A 229
LEU A 230
 LLP  A 289 (-3.7A)
None
None
None
 0.95A 5m45A-3gjuA:
undetectable		 5m45A-3gjuA:
19.75
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.
5M45_D_ACTD803_0
(ACETONE CARBOXYLASE
ALPHA SUBUNIT)		 3gju PUTATIVE
AMINOTRANSFERASE
(Mesorhizobium
japonicum) 		4 / 4 GLU A 227
PRO A 228
ILE A 229
LEU A 230
 LLP  A 289 (-3.7A)
None
None
None
 0.88A 5m45D-3gjuA:
undetectable		 5m45D-3gjuA:
19.75
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.
5M45_G_ACTG803_0
(ACETONE CARBOXYLASE
ALPHA SUBUNIT)		 3gju PUTATIVE
AMINOTRANSFERASE
(Mesorhizobium
japonicum) 		4 / 4 GLU A 227
PRO A 228
ILE A 229
LEU A 230
 LLP  A 289 (-3.7A)
None
None
None
 0.93A 5m45G-3gjuA:
undetectable		 5m45G-3gjuA:
19.75
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.
5M45_J_ACTJ803_0
(ACETONE CARBOXYLASE
ALPHA SUBUNIT)		 3gju PUTATIVE
AMINOTRANSFERASE
(Mesorhizobium
japonicum) 		4 / 4 GLU A 227
PRO A 228
ILE A 229
LEU A 230
 LLP  A 289 (-3.7A)
None
None
None
 0.88A 5m45J-3gjuA:
undetectable		 5m45J-3gjuA:
19.75
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.
5M54_B_TA1B502_1
(TUBULIN BETA-2B
CHAIN)		 3pef 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
NAD-BINDING
(Geobacter
metallireducens) 		5 / 12 ASP A  93
GLU A 118
ALA A 100
ARG A 242
LEU A 172
 None
None
None
GOL  A 289 (-3.0A)
None
 1.40A 5m54B-3pefA:
undetectable		 5m54B-3pefA:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M8R_C_MMSC516_1
(5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE)		 2x7v PROBABLE
ENDONUCLEASE 4
(Thermotoga
maritima) 		4 / 8 HIS A 230
ASN A 217
GLY A 182
SER A 147
 ZN  A1289 (-3.2A)
ZN  A1288 ( 4.9A)
None
None
 1.03A 5m8rC-2x7vA:
undetectable		 5m8rC-2x7vA:
19.30
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.
5N0R_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER
(Escherichia
coli) 		4 / 4 SER A 135
ALA A 136
GLN A 166
THR A 139
 289  A 434 (-1.4A)
None
None
None
 1.25A 5n0rA-4q1qA:
undetectable		 5n0rA-4q1qA:
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.
5N0R_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER
(Escherichia
coli) 		4 / 4 SER A 154
ALA A 155
GLN A 185
THR A 158
 289  A 410 ( 1.3A)
None
None
None
 1.22A 5n0rA-4q1qA:
undetectable		 5n0rA-4q1qA:
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.
5N0S_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER
(Escherichia
coli) 		4 / 4 SER A 135
ALA A 136
GLN A 166
THR A 139
 289  A 434 (-1.4A)
None
None
None
 1.21A 5n0sA-4q1qA:
undetectable		 5n0sA-4q1qA:
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.
5N0S_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER
(Escherichia
coli) 		4 / 4 SER A 154
ALA A 155
GLN A 185
THR A 158
 289  A 410 ( 1.3A)
None
None
None
 1.18A 5n0sA-4q1qA:
undetectable		 5n0sA-4q1qA:
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.
5N0S_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER
(Escherichia
coli) 		4 / 4 SER A 230
ALA A 231
GLN A 260
THR A 234
 289  A 416 (-1.3A)
None
None
None
 1.26A 5n0sA-4q1qA:
undetectable		 5n0sA-4q1qA:
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.
5N0T_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER
(Escherichia
coli) 		4 / 5 SER A 135
ALA A 136
GLN A 166
THR A 139
 289  A 434 (-1.4A)
None
None
None
 1.24A 5n0tA-4q1qA:
undetectable		 5n0tA-4q1qA:
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.
5N0T_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER
(Escherichia
coli) 		4 / 5 SER A 154
ALA A 155
GLN A 185
THR A 158
 289  A 410 ( 1.3A)
None
None
None
 1.21A 5n0tA-4q1qA:
undetectable		 5n0tA-4q1qA:
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.
5N0W_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER
(Escherichia
coli) 		4 / 4 SER A 135
ALA A 136
GLN A 166
THR A 139
 289  A 434 (-1.4A)
None
None
None
 1.24A 5n0wA-4q1qA:
undetectable		 5n0wA-4q1qA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N0W_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER
(Escherichia
coli) 		4 / 4 SER A 154
ALA A 155
GLN A 185
THR A 158
 289  A 410 ( 1.3A)
None
None
None
 1.21A 5n0wA-4q1qA:
undetectable		 5n0wA-4q1qA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N0W_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER
(Escherichia
coli) 		4 / 4 SER A 230
ALA A 231
GLN A 260
THR A 234
 289  A 416 (-1.3A)
None
None
None
 1.29A 5n0wA-4q1qA:
undetectable		 5n0wA-4q1qA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N0W_B_SAMB501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER
(Escherichia
coli) 		4 / 5 SER A 135
ALA A 136
GLN A 166
THR A 139
 289  A 434 (-1.4A)
None
None
None
 1.26A 5n0wB-4q1qA:
undetectable		 5n0wB-4q1qA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N0W_B_SAMB501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER
(Escherichia
coli) 		4 / 5 SER A 154
ALA A 155
GLN A 185
THR A 158
 289  A 410 ( 1.3A)
None
None
None
 1.23A 5n0wB-4q1qA:
undetectable		 5n0wB-4q1qA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N0W_B_SAMB501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER
(Escherichia
coli) 		4 / 5 SER A 230
ALA A 231
GLN A 260
THR A 234
 289  A 416 (-1.3A)
None
None
None
 1.30A 5n0wB-4q1qA:
undetectable		 5n0wB-4q1qA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N0X_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER
(Escherichia
coli) 		4 / 4 SER A 135
ALA A 136
GLN A 166
THR A 139
 289  A 434 (-1.4A)
None
None
None
 1.26A 5n0xA-4q1qA:
undetectable		 5n0xA-4q1qA:
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.
5N0X_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER
(Escherichia
coli) 		4 / 4 SER A 154
ALA A 155
GLN A 185
THR A 158
 289  A 410 ( 1.3A)
None
None
None
 1.23A 5n0xA-4q1qA:
undetectable		 5n0xA-4q1qA:
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.
5N4I_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER
(Escherichia
coli) 		4 / 5 SER A 135
ALA A 136
GLN A 166
THR A 139
 289  A 434 (-1.4A)
None
None
None
 1.24A 5n4iA-4q1qA:
undetectable		 5n4iA-4q1qA:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N4I_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER
(Escherichia
coli) 		4 / 5 SER A 154
ALA A 155
GLN A 185
THR A 158
 289  A 410 ( 1.3A)
None
None
None
 1.21A 5n4iA-4q1qA:
undetectable		 5n4iA-4q1qA:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N4I_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER
(Escherichia
coli) 		4 / 5 SER A 230
ALA A 231
GLN A 260
THR A 234
 289  A 416 (-1.3A)
None
None
None
 1.28A 5n4iA-4q1qA:
undetectable		 5n4iA-4q1qA:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NCD_D_ACTD301_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 2x7v PROBABLE
ENDONUCLEASE 4
(Thermotoga
maritima) 		4 / 4 ASP A 178
HIS A 181
HIS A 109
HIS A 215
 ZN  A1288 (-3.1A)
ZN  A1289 ( 3.3A)
ZN  A1287 (-3.3A)
ZN  A1288 (-3.3A)
 1.02A 5ncdD-2x7vA:
3.4		 5ncdD-2x7vA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NEL_C_ACTC302_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 2x7v PROBABLE
ENDONUCLEASE 4
(Thermotoga
maritima) 		4 / 6 ASP A 178
HIS A 181
HIS A 109
HIS A 215
 ZN  A1288 (-3.1A)
ZN  A1289 ( 3.3A)
ZN  A1287 (-3.3A)
ZN  A1288 (-3.3A)
 1.01A 5nelB-2x7vA:
4.3
5nelC-2x7vA:
3.4		 5nelB-2x7vA:
21.50
5nelC-2x7vA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NEL_C_ACTC302_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 2x7v PROBABLE
ENDONUCLEASE 4
(Thermotoga
maritima) 		4 / 6 HIS A  69
ASP A 178
HIS A 181
HIS A 215
 ZN  A1287 (-3.5A)
ZN  A1288 (-3.1A)
ZN  A1289 ( 3.3A)
ZN  A1288 (-3.3A)
 1.07A 5nelB-2x7vA:
4.3
5nelC-2x7vA:
3.4		 5nelB-2x7vA:
21.50
5nelC-2x7vA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NEL_C_ACTC302_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 3rcm TATD FAMILY
HYDROLASE
(Pseudomonas
putida) 		4 / 6 HIS A 158
ASP A 101
HIS A  70
HIS A  68
 ZN  A 288 ( 3.2A)
None
ACT  A 290 ( 4.5A)
CIT  A 289 (-4.0A)
 0.95A 5nelB-3rcmA:
3.3
5nelC-3rcmA:
4.1		 5nelB-3rcmA:
19.40
5nelC-3rcmA:
19.40
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.
5OEX_A_CUA604_0
(THIOCYANATE
DEHYDROGENASE)		 2yb4 AMIDOHYDROLASE
(Chromobacterium
violaceum) 		3 / 3 HIS A   9
HIS A  39
HIS A  75
 None
SO4  A1289 (-4.1A)
None
 0.83A 5oexA-2yb4A:
undetectable		 5oexA-2yb4A:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OSR_A_ACTA402_0
(CASEIN KINASE II
SUBUNIT ALPHA)		 3uf6 LMO1369 PROTEIN
(Listeria
monocytogenes) 		4 / 7 TYR A 241
ILE A 122
VAL A 245
ALA A 250
 COD  A 289 (-4.1A)
None
None
None
 0.78A 5osrA-3uf6A:
undetectable		 5osrA-3uf6A:
21.49
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.
5OV9_B_CVIB603_0
(ACETYLCHOLINESTERASE)		 2f07 YVDT
(Bacillus
subtilis) 		4 / 7 TYR A 125
TYR A 122
ASP A  68
HIS A  65
 None
BTB  A 289 (-3.8A)
None
None
 1.40A 5ov9B-2f07A:
undetectable		 5ov9B-2f07A:
14.13
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.
5T7B_A_IPHA901_0
(PROTEIN ARGONAUTE-2)		 3dcl TM1086
(Thermotoga
maritima) 		4 / 6 PRO A  38
VAL A  39
ALA A  20
THR A  44
 None
None
None
K  A 289 (-3.9A)
 0.68A 5t7bA-3dclA:
undetectable		 5t7bA-3dclA:
15.72
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.
5UUN_A_ACTA303_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		 3pzs PYRIDOXAMINE KINASE
(Yersinia
pestis) 		3 / 3 GLU A 262
TYR A 263
ARG A 216
 BME  A 289 (-3.9A)
None
None
 0.77A 5uunA-3pzsA:
undetectable		 5uunA-3pzsA:
22.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5UUN_B_ACTB308_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		 3c8e YGHU, GLUTATHIONE
S-TRANSFERASE
HOMOLOGUE
(Escherichia
coli) 		3 / 3 LEU A  50
ILE A  82
TYR A 167
 None
GSH  A 289 (-3.7A)
None
 0.31A 5uunB-3c8eA:
39.3		 5uunB-3c8eA:
59.26
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.
5VKQ_A_PCFA1805_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50
(Geobacillus
stearothermophil
us) 		4 / 7 VAL A 279
HIS A 287
PRO A 288
ILE A 289
 VAL  A 279 ( 0.6A)
HIS  A 287 ( 1.0A)
PRO  A 288 ( 1.1A)
ILE  A 289 ( 0.7A)
 1.01A 5vkqA-2ogsA:
undetectable
5vkqD-2ogsA:
undetectable		 5vkqA-2ogsA:
14.51
5vkqD-2ogsA:
14.51
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.
5WK9_A_CAMA503_0
(CAMPHOR
5-MONOOXYGENASE)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 7 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 1.02A 5wk9A-5lmxC:
undetectable		 5wk9A-5lmxC:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WYQ_B_SAMB301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		 4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER
(Escherichia
coli) 		5 / 12 GLY A 221
SER A 178
ILE A 160
GLY A 201
GLY A 202
 None
None
None
289  A 422 ( 4.0A)
None
 0.95A 5wyqB-4q1qA:
undetectable		 5wyqB-4q1qA:
22.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YF9_X_NIOX401_1
(CASEIN KINASE II
SUBUNIT ALPHA')		 2iwi SERINE/THREONINE-PRO
TEIN KINASE PIM-2
(Homo
sapiens) 		5 / 9 LEU A  38
VAL A  46
ILE A 100
ILE A 181
ASP A 182
 HB1  A1289 ( 4.1A)
HB1  A1289 (-3.6A)
HB1  A1289 (-4.1A)
HB1  A1289 (-3.7A)
HB1  A1289 (-4.2A)
 0.87A 5yf9X-2iwiA:
24.4		 5yf9X-2iwiA:
14.18
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.
5YWM_X_NIOX403_0
(CASEIN KINASE II
SUBUNIT ALPHA')		 2iwi SERINE/THREONINE-PRO
TEIN KINASE PIM-2
(Homo
sapiens) 		4 / 7 VAL A  46
ILE A 100
ILE A 181
ASP A 182
 HB1  A1289 (-3.6A)
HB1  A1289 (-4.1A)
HB1  A1289 (-3.7A)
HB1  A1289 (-4.2A)
 0.48A 5ywmX-2iwiA:
24.4		 5ywmX-2iwiA:
14.18
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.
6BKL_G_EU7G101_0
(MATRIX PROTEIN 2)		 4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER
(Escherichia
coli) 		5 / 9 SER A 211
GLY A 228
ALA A 249
SER A 248
GLY A 247
 289  A 416 (-2.7A)
None
None
289  A 417 (-1.3A)
None
 1.17A 6bklE-4q1qA:
undetectable
6bklF-4q1qA:
undetectable
6bklG-4q1qA:
undetectable
6bklH-4q1qA:
undetectable		 6bklE-4q1qA:
4.92
6bklF-4q1qA:
4.92
6bklG-4q1qA:
4.92
6bklH-4q1qA:
4.92
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.
6CP4_A_CAMA422_0
(CYTOCHROME P450CAM)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 8 PHE C 251
LEU C 280
VAL C 289
ASP C 273
 PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
 0.97A 6cp4A-5lmxC:
undetectable		 6cp4A-5lmxC:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EFN_A_SAMA501_0
(SPORULATION KILLING
FACTOR MATURATION
PROTEIN SKFB)		 3odg XANTHOSINE
PHOSPHORYLASE
(Yersinia
pseudotuberculos
is) 		5 / 11 PHE A 196
SER A 224
ARG A  93
THR A 262
ALA A 266
 None
CL  A 289 ( 4.8A)
CL  A 289 ( 4.8A)
XAN  A 288 (-3.5A)
None
 1.44A 6efnA-3odgA:
undetectable		 6efnA-3odgA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GP2_A_DAHA126_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
BETA CHAIN)		 5d7a TRAF2 AND
NCK-INTERACTING
PROTEIN KINASE
(Homo
sapiens) 		5 / 11 LEU A 283
THR A 280
GLY A 140
ILE A 137
ILE A 289
 LEU  A 283 ( 0.6A)
THR  A 280 ( 0.8A)
GLY  A 140 ( 0.0A)
ILE  A 137 ( 0.7A)
ILE  A 289 ( 0.7A)
 1.08A 6gp2A-5d7aA:
undetectable		 6gp2A-5d7aA:
12.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HXI_D_ACTD703_0
(SUCCINYL-COA LIGASE
(ADP-FORMING)
SUBUNIT ALPHA)		 3ch0 GLYCEROPHOSPHODIESTE
R PHOSPHODIESTERASE
(Cytophaga
hutchinsonii) 		4 / 5 ARG A  14
ASP A 263
PHE A 103
ARG A 102
 GOL  A 289 ( 2.8A)
EDO  A 279 (-4.4A)
None
GOL  A 289 (-2.7A)
 1.50A 6hxiD-3ch0A:
undetectable		 6hxiD-3ch0A:
20.53