SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'BME'


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.
1C4D_C_DVAC6_0
(GRAMICIDIN A)		 4r30 LAFORIN
(Homo
sapiens) 		3 / 3 ALA A 275
VAL A 249
TRP A 280
 BME  A 503 ( 4.5A)
None
None
 0.90A 1c4dC-4r30A:
undetectable
1c4dD-4r30A:
undetectable		 1c4dC-4r30A:
7.80
1c4dD-4r30A:
7.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1C4D_D_DVAD6_0
(GRAMICIDIN A)		 4r30 LAFORIN
(Homo
sapiens) 		3 / 3 TRP A 280
ALA A 275
VAL A 249
 None
BME  A 503 ( 4.5A)
None
 0.75A 1c4dC-4r30A:
undetectable
1c4dD-4r30A:
undetectable		 1c4dC-4r30A:
7.80
1c4dD-4r30A:
7.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1CIL_A_ETSA263_1
(CARBONIC ANHYDRASE
II)		 1kop CARBONIC ANHYDRASE
(Neisseria
gonorrhoeae) 		11 / 12 HIS A  66
GLN A  90
HIS A  92
HIS A  94
HIS A 111
VAL A 113
VAL A 123
LEU A 176
THR A 177
THR A 178
TRP A 187
 BME  A 303 (-3.6A)
None
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.2A)
None
None
AZI  A 305 (-4.2A)
AZI  A 305 (-3.4A)
AZI  A 305 ( 4.2A)
None
 0.34A 1cilA-1kopA:
29.8		 1cilA-1kopA:
33.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1CLA_A_CLMA221_0
(TYPE III
CHLORAMPHENICOL
ACETYLTRANSFERASE)		 1cia CHLORAMPHENICOL
ACETYLTRANSFERASE
(Escherichia
coli) 		9 / 10 THR A  94
PHE A 103
ALA A 105
PHE A 135
ASN A 146
LEU A 160
VAL A 162
TYR A 168
ILE A 172
 None
None
BME  A 536 ( 4.3A)
None
None
None
None
None
None
 0.26A 1claA-1ciaA:
37.2		 1claA-1ciaA:
99.06
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.
1DX6_A_GNTA602_1
(ACETYLCHOLINESTERASE)		 3fnb ACYLAMINOACYL
PEPTIDASE SMU_737
(Streptococcus
mutans) 		5 / 12 GLY A 164
GLY A 165
TYR A 301
SER A 233
HIS A 377
 None
PGE  A 404 ( 4.1A)
PGE  A 404 ( 3.7A)
BME  A 403 ( 4.0A)
BME  A 403 (-4.4A)
 0.90A 1dx6A-3fnbA:
14.6		 1dx6A-3fnbA:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DZ6_B_CAMB502_0
(CYTOCHROME P450-CAM)		 4r9i SERPIN-18
(Bombyx
mori) 		4 / 5 PHE A 246
TYR A 202
VAL A 295
VAL A 377
 None
BME  A 403 (-4.8A)
BME  A 403 ( 4.6A)
None
 1.41A 1dz6B-4r9iA:
undetectable		 1dz6B-4r9iA:
22.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HXB_A_ROCA100_1
(HIV-1 PROTEASE)		 5z0c NEROL DEHYDROGENASE
(Persicaria
minor) 		5 / 12 GLY A 279
VAL A 190
GLY A 194
GLY A 195
ILE A 253
 None
None
BME  A 405 ( 4.2A)
BME  A 405 (-3.3A)
None
 0.83A 1hxbA-5z0cA:
undetectable		 1hxbA-5z0cA:
17.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ICT_D_T44D129_1
(TRANSTHYRETIN)		 1e6b GLUTATHIONE
S-TRANSFERASE
(Arabidopsis
thaliana) 		4 / 6 LEU A 147
ALA A 159
LEU A 150
THR A 160
 None
None
None
BME  A 389 ( 4.9A)
 1.04A 1ictB-1e6bA:
undetectable		 1ictB-1e6bA:
20.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1IEP_B_STIB202_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL)		 2qob EPHRIN RECEPTOR
(Homo
sapiens) 		6 / 12 VAL A 635
ALA A 651
GLU A 670
MET A 674
THR A 699
ASP A 764
 BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
None
None
None
None
 1.08A 1iepB-2qobA:
26.3		 1iepB-2qobA:
34.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1KIA_A_ACTA294_0
(GLYCINE
N-METHYLTRANSFERASE)		 1r8y GLYCINE
N-METHYLTRANSFERASE
(Mus
musculus) 		4 / 6 ASN A 138
ARG A 175
TYR A 220
TYR A 242
 None
BME  A1282 (-4.3A)
None
None
 0.98A 1kiaA-1r8yA:
35.7		 1kiaA-1r8yA:
95.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1KIA_B_ACTB1294_0
(GLYCINE
N-METHYLTRANSFERASE)		 1r8y GLYCINE
N-METHYLTRANSFERASE
(Mus
musculus) 		4 / 6 ASN A 138
ARG A 175
TYR A 220
TYR A 242
 None
BME  A1282 (-4.3A)
None
None
 0.97A 1kiaB-1r8yA:
35.6		 1kiaB-1r8yA:
95.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1KIA_C_ACTC2294_0
(GLYCINE
N-METHYLTRANSFERASE)		 1r8y GLYCINE
N-METHYLTRANSFERASE
(Mus
musculus) 		4 / 7 ASN A 138
ARG A 175
TYR A 220
TYR A 242
 None
BME  A1282 (-4.3A)
None
None
 0.97A 1kiaC-1r8yA:
35.7		 1kiaC-1r8yA:
95.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1KIA_D_ACTD3294_0
(GLYCINE
N-METHYLTRANSFERASE)		 1r8y GLYCINE
N-METHYLTRANSFERASE
(Mus
musculus) 		4 / 7 ASN A 138
ARG A 175
TYR A 220
TYR A 242
 None
BME  A1282 (-4.3A)
None
None
 0.97A 1kiaD-1r8yA:
35.6		 1kiaD-1r8yA:
95.55
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.
1MAA_D_DMED999_1
(ACETYLCHOLINESTERASE)		 3fnb ACYLAMINOACYL
PEPTIDASE SMU_737
(Streptococcus
mutans) 		4 / 8 GLY A 165
TYR A 301
SER A 233
HIS A 377
 PGE  A 404 ( 4.1A)
PGE  A 404 ( 3.7A)
BME  A 403 ( 4.0A)
BME  A 403 (-4.4A)
 0.93A 1maaD-3fnbA:
13.9		 1maaD-3fnbA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1N13_D_AG2D7015_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN)		 4ixu ARGINASE-2,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 7 LEU A  65
LEU A  54
LEU A  61
GLY A  62
 None
None
None
BME  A 404 ( 4.7A)
 0.86A 1n13D-4ixuA:
undetectable
1n13E-4ixuA:
undetectable		 1n13D-4ixuA:
17.71
1n13E-4ixuA:
10.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1N3Z_A_ADNA126_1
(RIBONUCLEASE,
SEMINAL)		 3lvy CARBOXYMUCONOLACTONE
DECARBOXYLASE FAMILY
(Streptococcus
mutans) 		5 / 9 ALA A  83
ASN A 164
ALA A  73
VAL A  82
HIS A  85
 None
None
None
None
BME  A 191 (-3.7A)
 1.49A 1n3zA-3lvyA:
undetectable		 1n3zA-3lvyA:
17.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1NBH_A_ACTA294_0
(GLYCINE
N-METHYLTRANSFERASE)		 1r8y GLYCINE
N-METHYLTRANSFERASE
(Mus
musculus) 		4 / 6 ASN A 138
ARG A 175
TYR A 220
TYR A 242
 None
BME  A1282 (-4.3A)
None
None
 0.94A 1nbhA-1r8yA:
35.1		 1nbhA-1r8yA:
95.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1NBH_B_ACTB1294_0
(GLYCINE
N-METHYLTRANSFERASE)		 1r8y GLYCINE
N-METHYLTRANSFERASE
(Mus
musculus) 		4 / 7 ASN A 138
ARG A 175
TYR A 220
TYR A 242
 None
BME  A1282 (-4.3A)
None
None
 0.94A 1nbhB-1r8yA:
35.1		 1nbhB-1r8yA:
95.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1NBH_C_ACTC2294_0
(GLYCINE
N-METHYLTRANSFERASE)		 1r8y GLYCINE
N-METHYLTRANSFERASE
(Mus
musculus) 		4 / 6 ASN A 138
ARG A 175
TYR A 220
TYR A 242
 None
BME  A1282 (-4.3A)
None
None
 0.93A 1nbhC-1r8yA:
35.0		 1nbhC-1r8yA:
95.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1NBH_D_ACTD3294_0
(GLYCINE
N-METHYLTRANSFERASE)		 1r8y GLYCINE
N-METHYLTRANSFERASE
(Mus
musculus) 		4 / 7 ASN A 138
ARG A 175
TYR A 220
TYR A 242
 None
BME  A1282 (-4.3A)
None
None
 0.94A 1nbhD-1r8yA:
35.1		 1nbhD-1r8yA:
95.55
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.
1O76_B_CAMB1420_0
(CYTOCHROME P450-CAM)		 3fnb ACYLAMINOACYL
PEPTIDASE SMU_737
(Streptococcus
mutans) 		4 / 8 THR A 167
LEU A 172
VAL A 161
THR A 239
 BME  A 403 ( 4.9A)
None
None
None
 1.14A 1o76B-3fnbA:
undetectable		 1o76B-3fnbA:
23.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OQ5_A_CELA701_1
(CARBONIC ANHYDRASE
II)		 1kop CARBONIC ANHYDRASE
(Neisseria
gonorrhoeae) 		6 / 12 ASN A  64
GLU A  62
GLN A  69
HIS A  94
LEU A 176
THR A 177
 BME  A 303 (-4.7A)
None
None
ZN  A 301 ( 3.3A)
AZI  A 305 (-4.2A)
AZI  A 305 (-3.4A)
 1.40A 1oq5A-1kopA:
29.7		 1oq5A-1kopA:
33.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OQ5_A_CELA701_1
(CARBONIC ANHYDRASE
II)		 1kop CARBONIC ANHYDRASE
(Neisseria
gonorrhoeae) 		6 / 12 ASN A  64
GLU A  62
HIS A  94
LEU A 176
THR A 177
PRO A 180
 BME  A 303 (-4.7A)
None
ZN  A 301 ( 3.3A)
AZI  A 305 (-4.2A)
AZI  A 305 (-3.4A)
None
 1.24A 1oq5A-1kopA:
29.7		 1oq5A-1kopA:
33.96
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.
1Q23_B_FUAB703_2
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 3lvy CARBOXYMUCONOLACTONE
DECARBOXYLASE FAMILY
(Streptococcus
mutans) 		3 / 3 VAL A 182
ALA A  83
HIS A  85
 None
None
BME  A 191 (-3.7A)
 0.68A 1q23C-3lvyA:
undetectable		 1q23C-3lvyA:
22.36
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.
1Q23_G_FUAG708_2
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 3lvy CARBOXYMUCONOLACTONE
DECARBOXYLASE FAMILY
(Streptococcus
mutans) 		3 / 3 VAL A 182
ALA A  83
HIS A  85
 None
None
BME  A 191 (-3.7A)
 0.69A 1q23H-3lvyA:
undetectable		 1q23H-3lvyA:
22.36
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.
1Q23_I_FUAI707_2
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 1zsw GLYOXALASE FAMILY
PROTEIN
(Bacillus
cereus) 		5 / 11 SER A 258
TYR A 260
PHE A 256
PHE A 296
PHE A  48
 BME  A 316 ( 4.7A)
None
BME  A 316 (-4.7A)
None
BME  A 316 (-4.9A)
 1.11A 1q23I-1zswA:
undetectable		 1q23I-1zswA:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QHY_A_CLMA888_0
(CHLORAMPHENICOL
PHOSPHOTRANSFERASE)		 3fxq LYSR TYPE REGULATOR
OF TSAMBCD
(Comamonas
testosteroni) 		4 / 6 PRO A 177
MET A 178
ALA A 181
GLU A 186
 None
BME  A1003 ( 4.8A)
None
None
 1.42A 1qhyA-3fxqA:
undetectable		 1qhyA-3fxqA:
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.
1QTI_A_GNTA600_1
(ACETYLCHOLINESTERASE)		 3fnb ACYLAMINOACYL
PEPTIDASE SMU_737
(Streptococcus
mutans) 		5 / 12 GLY A 164
GLY A 165
TYR A 301
SER A 233
HIS A 377
 None
PGE  A 404 ( 4.1A)
PGE  A 404 ( 3.7A)
BME  A 403 ( 4.0A)
BME  A 403 (-4.4A)
 0.92A 1qtiA-3fnbA:
14.0		 1qtiA-3fnbA:
19.63
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.
1RXC_B_URFB2011_1
(URIDINE
PHOSPHORYLASE)		 3oga NUCLEOSIDE
TRIPHOSPHATASE NUDI
(Salmonella
enterica) 		4 / 8 GLY A  37
ARG A  52
ILE A   6
VAL A   7
 None
None
BME  A 142 ( 4.7A)
None
 0.96A 1rxcB-3ogaA:
undetectable		 1rxcB-3ogaA:
19.63
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.
1RXC_C_URFC2081_1
(URIDINE
PHOSPHORYLASE)		 3oga NUCLEOSIDE
TRIPHOSPHATASE NUDI
(Salmonella
enterica) 		4 / 7 GLY A  37
ARG A  52
ILE A   6
VAL A   7
 None
None
BME  A 142 ( 4.7A)
None
 0.79A 1rxcC-3ogaA:
undetectable		 1rxcC-3ogaA:
19.63
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.
1RXC_D_URFD2021_1
(URIDINE
PHOSPHORYLASE)		 3oga NUCLEOSIDE
TRIPHOSPHATASE NUDI
(Salmonella
enterica) 		4 / 7 GLY A  37
ARG A  52
ILE A   6
VAL A   7
 None
None
BME  A 142 ( 4.7A)
None
 0.94A 1rxcD-3ogaA:
undetectable		 1rxcD-3ogaA:
19.63
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.
1RXC_E_URFE2031_1
(URIDINE
PHOSPHORYLASE)		 3oga NUCLEOSIDE
TRIPHOSPHATASE NUDI
(Salmonella
enterica) 		4 / 8 GLY A  37
ARG A  52
ILE A   6
VAL A   7
 None
None
BME  A 142 ( 4.7A)
None
 0.95A 1rxcE-3ogaA:
undetectable		 1rxcE-3ogaA:
19.63
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.
1RXC_F_URFF2001_1
(URIDINE
PHOSPHORYLASE)		 3oga NUCLEOSIDE
TRIPHOSPHATASE NUDI
(Salmonella
enterica) 		4 / 7 GLY A  37
ARG A  52
ILE A   6
VAL A   7
 None
None
BME  A 142 ( 4.7A)
None
 0.92A 1rxcF-3ogaA:
undetectable		 1rxcF-3ogaA:
19.63
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.
1RXC_K_URFK2061_1
(URIDINE
PHOSPHORYLASE)		 3oga NUCLEOSIDE
TRIPHOSPHATASE NUDI
(Salmonella
enterica) 		4 / 8 GLY A  37
ARG A  52
ILE A   6
VAL A   7
 None
None
BME  A 142 ( 4.7A)
None
 0.93A 1rxcK-3ogaA:
undetectable		 1rxcK-3ogaA:
19.63
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.
1RXC_L_URFL2071_1
(URIDINE
PHOSPHORYLASE)		 3oga NUCLEOSIDE
TRIPHOSPHATASE NUDI
(Salmonella
enterica) 		4 / 7 GLY A  37
ARG A  52
ILE A   6
VAL A   7
 None
None
BME  A 142 ( 4.7A)
None
 0.96A 1rxcL-3ogaA:
undetectable		 1rxcL-3ogaA:
19.63
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.
1S9A_B_BEZB307_0
(CHLOROCATECHOL
1,2-DIOXYGENASE)		 3t63 PROTOCATECHUATE
3,4-DIOXYGENASE BETA
CHAIN
(Pseudomonas
putida) 		5 / 12 ILE M 491
TYR M 408
HIS M 460
GLN M 477
CYH M 489
 None
BME  M   1 ( 4.4A)
FE  M 600 ( 3.4A)
BME  M   1 ( 4.9A)
None
 1.49A 1s9aB-3t63M:
13.3		 1s9aB-3t63M:
27.76
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.
1S9A_B_BEZB307_0
(CHLOROCATECHOL
1,2-DIOXYGENASE)		 3t63 PROTOCATECHUATE
3,4-DIOXYGENASE BETA
CHAIN
(Pseudomonas
putida) 		5 / 12 TYR M 408
ARG M 457
HIS M 460
GLN M 477
CYH M 489
 BME  M   1 ( 4.4A)
BME  M   1 (-3.9A)
FE  M 600 ( 3.4A)
BME  M   1 ( 4.9A)
None
 1.38A 1s9aB-3t63M:
13.3		 1s9aB-3t63M:
27.76
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.
1UTD_L_TRPL81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 1t8h YLMD PROTEIN
SEQUENCE HOMOLOGUE
(Geobacillus
stearothermophil
us) 		5 / 12 GLY A 108
HIS A 142
HIS A  80
ILE A  84
GLY A 144
 None
None
None
None
BME  A 302 (-3.3A)
 1.02A 1utdL-1t8hA:
undetectable
1utdM-1t8hA:
undetectable		 1utdL-1t8hA:
13.00
1utdM-1t8hA:
13.00
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.
1UW6_A_NCTA1208_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 2j5c 1,8-CINEOLE SYNTHASE
(Salvia
fruticosa) 		4 / 8 TYR A 420
THR A 342
CYH A 382
LEU A 304
 None
BME  A1593 (-3.7A)
None
None
 1.13A 1uw6A-2j5cA:
undetectable
1uw6B-2j5cA:
undetectable		 1uw6A-2j5cA:
16.78
1uw6B-2j5cA:
16.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UW6_T_NCTT1208_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 2j5c 1,8-CINEOLE SYNTHASE
(Salvia
fruticosa) 		4 / 8 LEU A 304
TYR A 420
THR A 342
CYH A 382
 None
None
BME  A1593 (-3.7A)
None
 1.13A 1uw6P-2j5cA:
undetectable
1uw6T-2j5cA:
undetectable		 1uw6P-2j5cA:
16.78
1uw6T-2j5cA:
16.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VPT_A_SAMA400_0
(VP39)		 1vzo RIBOSOMAL PROTEIN S6
KINASE ALPHA 5
(Homo
sapiens) 		5 / 12 ILE A 312
GLY A 303
VAL A 162
ALA A 235
LEU A 241
 None
None
None
BME  A1304 (-3.3A)
None
 0.90A 1vptA-1vzoA:
undetectable		 1vptA-1vzoA:
22.44
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.
1VQ1_A_SAMA301_1
(N5-GLUTAMINE
METHYLTRANSFERASE,
HEMK)		 4isc METHYLTRANSFERASE
(Pseudomonas
syringae
group
genomosp.
3) 		3 / 3 GLY A  50
ASP A  71
ASN A  53
 BME  A 301 ( 4.7A)
None
None
 0.66A 1vq1A-4iscA:
10.7		 1vq1A-4iscA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)		 3fnb ACYLAMINOACYL
PEPTIDASE SMU_737
(Streptococcus
mutans) 		5 / 12 GLY A 164
GLY A 165
TYR A 301
SER A 233
HIS A 377
 None
PGE  A 404 ( 4.1A)
PGE  A 404 ( 3.7A)
BME  A 403 ( 4.0A)
BME  A 403 (-4.4A)
 0.86A 1w6rA-3fnbA:
14.4		 1w6rA-3fnbA:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W76_B_GNTB1538_1
(ACETYLCHOLINESTERASE)		 3fnb ACYLAMINOACYL
PEPTIDASE SMU_737
(Streptococcus
mutans) 		5 / 10 GLY A 164
GLY A 165
TYR A 301
SER A 233
HIS A 377
 None
PGE  A 404 ( 4.1A)
PGE  A 404 ( 3.7A)
BME  A 403 ( 4.0A)
BME  A 403 (-4.4A)
 0.92A 1w76B-3fnbA:
13.8		 1w76B-3fnbA:
19.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XJB_A_ACTA1002_0
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		4 / 4 TYR A   5
PRO A  17
HIS A  47
PHE A 284
 BME  A 326 (-4.0A)
EDO  A 330 (-4.6A)
None
EDO  A 330 (-4.7A)
 0.07A 1xjbA-2ipjA:
56.9		 1xjbA-2ipjA:
98.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XVA_A_SAMA293_0
(GLYCINE
N-METHYLTRANSFERASE)		 1r8y GLYCINE
N-METHYLTRANSFERASE
(Mus
musculus) 		6 / 12 HIS A 142
ARG A 175
GLY A 189
TYR A  33
TYR A 242
TYR A 283
 None
BME  A1282 (-4.3A)
None
None
None
None
 1.44A 1xvaA-1r8yA:
42.4		 1xvaA-1r8yA:
95.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XVA_A_SAMA293_0
(GLYCINE
N-METHYLTRANSFERASE)		 1r8y GLYCINE
N-METHYLTRANSFERASE
(Mus
musculus) 		9 / 12 TYR A  33
THR A  37
VAL A  69
SER A 139
HIS A 142
ARG A 175
GLY A 189
ILE A 202
TYR A 242
 None
None
None
None
None
BME  A1282 (-4.3A)
None
None
None
 0.94A 1xvaA-1r8yA:
42.4		 1xvaA-1r8yA:
95.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XVA_A_SAMA293_0
(GLYCINE
N-METHYLTRANSFERASE)		 1r8y GLYCINE
N-METHYLTRANSFERASE
(Mus
musculus) 		10 / 12 TYR A  33
VAL A  69
ASP A  70
SER A 139
HIS A 142
ARG A 175
GLY A 189
ILE A 202
TYR A 242
TYR A 283
 None
None
None
None
None
BME  A1282 (-4.3A)
None
None
None
None
 0.71A 1xvaA-1r8yA:
42.4		 1xvaA-1r8yA:
95.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XVA_B_SAMB293_0
(GLYCINE
N-METHYLTRANSFERASE)		 1r8y GLYCINE
N-METHYLTRANSFERASE
(Mus
musculus) 		6 / 12 ALA A  64
ASP A  70
ASN A 138
ARG A 175
TYR A 194
TYR A 283
 None
None
None
BME  A1282 (-4.3A)
None
None
 1.16A 1xvaB-1r8yA:
42.1		 1xvaB-1r8yA:
95.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ZGF_A_TRUA300_1
(CARBONIC ANHYDRASE
II)		 1kop CARBONIC ANHYDRASE
(Neisseria
gonorrhoeae) 		7 / 12 ASN A  64
GLN A  69
HIS A  94
VAL A 113
LEU A 176
THR A 177
THR A 178
 BME  A 303 (-4.7A)
None
ZN  A 301 ( 3.3A)
None
AZI  A 305 (-4.2A)
AZI  A 305 (-3.4A)
AZI  A 305 ( 4.2A)
 1.36A 1zgfA-1kopA:
29.6		 1zgfA-1kopA:
33.96
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.
2A7Q_A_CFBA328_2
(DEOXYCYTIDINE KINASE)		 2j5c 1,8-CINEOLE SYNTHASE
(Salvia
fruticosa) 		4 / 4 ILE A 120
ASP A  93
LEU A  99
ARG A 325
 None
None
None
BME  A1592 ( 4.0A)
 1.45A 2a7qA-2j5cA:
undetectable		 2a7qA-2j5cA:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ACL_A_REAA502_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 4i7l LYSOZYME
(Escherichia
virus
T4) 		5 / 12 ALA A 129
PHE A 153
LEU A 133
ALA A 130
ILE A  78
 None
IPH  A 202 (-4.4A)
None
BME  A 210 ( 4.3A)
IPH  A 202 ( 4.5A)
 1.00A 2aclA-4i7lA:
undetectable
2aclE-4i7lA:
undetectable		 2aclA-4i7lA:
21.05
2aclE-4i7lA:
21.05
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.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		 2cai GLUTATHIONE
S-TRANSFERASE 28 KDA
(Schistosoma
haematobium) 		5 / 12 ILE A  58
VAL A  56
VAL A   8
LEU A  24
THR A  23
 BME  A1220 ( 4.5A)
None
None
None
None
 1.01A 2aw1A-2caiA:
undetectable		 2aw1A-2caiA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BFP_A_H4BA1290_1
(PTERIDINE REDUCTASE
1)		 3ne7 ACETYLTRANSFERASE
(Thermoplasma
acidophilum) 		4 / 8 PHE A 143
LEU A 108
TYR A 138
LEU A  80
 None
None
BME  A 162 ( 4.9A)
BME  A 163 (-4.9A)
 1.05A 2bfpA-3ne7A:
undetectable		 2bfpA-3ne7A:
19.85
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.
2BR4_E_SAME301_1
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 6cvq APRATAXIN
(Homo
sapiens) 		3 / 3 SER A 174
ASP A 193
CYH A 272
 AMP  A 401 (-2.2A)
AMP  A 401 (-2.2A)
BME  A 404 (-2.7A)
 1.03A 2br4E-6cvqA:
undetectable		 2br4E-6cvqA:
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.
2DYS_W_CHDW101_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)		 2igp RETINOBLASTOMA-ASSOC
IATED PROTEIN HEC
(Homo
sapiens) 		4 / 6 LEU A 185
ARG A  97
THR A 104
LEU A 103
 None
BME  A 269 (-3.2A)
None
None
 0.96A 2dysN-2igpA:
undetectable
2dysW-2igpA:
undetectable		 2dysN-2igpA:
12.50
2dysW-2igpA:
15.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HA4_B_ACTB601_0
(ACETYLCHOLINESTERASE)		 3od1 ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT
(Bacillus
halodurans) 		4 / 7 GLY A 223
GLY A 222
ALA A 225
ALA A 226
 BME  A 401 (-4.2A)
BME  A 401 ( 3.7A)
BME  A 401 (-3.5A)
BME  A 401 ( 4.4A)
 0.65A 2ha4B-3od1A:
undetectable		 2ha4B-3od1A:
23.74
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.
2HC4_A_VDXA525_1
(VITAMIN D RECEPTOR)		 5z0c NEROL DEHYDROGENASE
(Persicaria
minor) 		5 / 12 LEU A 196
SER A  53
CYH A  51
HIS A 260
LEU A 265
 BME  A 405 (-3.9A)
ZN  A 402 ( 3.9A)
ZN  A 402 (-2.3A)
None
None
 1.07A 2hc4A-5z0cA:
undetectable		 2hc4A-5z0cA:
15.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HKK_A_ALEA300_1
(CARBONIC ANHYDRASE 2)		 1kop CARBONIC ANHYDRASE
(Neisseria
gonorrhoeae) 		4 / 6 ASN A  64
HIS A  66
GLN A  90
THR A 178
 BME  A 303 (-4.7A)
BME  A 303 (-3.6A)
None
AZI  A 305 ( 4.2A)
 0.36A 2hkkA-1kopA:
29.5		 2hkkA-1kopA:
33.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HYY_D_STID600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 2qob EPHRIN RECEPTOR
(Homo
sapiens) 		7 / 12 VAL A 635
ALA A 651
GLU A 670
MET A 674
ILE A 697
THR A 699
ASP A 764
 BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
None
None
None
None
None
 1.03A 2hyyD-2qobA:
26.4		 2hyyD-2qobA:
33.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HYY_D_STID600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 2qob EPHRIN RECEPTOR
(Homo
sapiens) 		6 / 12 VAL A 635
ALA A 651
ILE A 673
ILE A 697
THR A 699
LEU A 753
 BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
None
None
None
None
 0.95A 2hyyD-2qobA:
26.4		 2hyyD-2qobA:
33.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2KCE_A_D16A566_2
(THYMIDYLATE SYNTHASE)		 1jof CARBOXY-CIS,CIS-MUCO
NATE CYCLASE
(Neurospora
crassa) 		3 / 3 HIS A   3
ILE A 336
LEU A  26
 BME  A 368 (-3.3A)
None
None
 0.71A 2kceA-1jofA:
undetectable		 2kceA-1jofA:
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.
2N27_A_4DYA205_1
(CALMODULIN)		 2w3p BENZOYL-COA-DIHYDROD
IOL LYASE
(Paraburkholderia
xenovorans) 		5 / 11 LEU A  85
THR A  33
ILE A  36
LEU A 234
VAL A  31
 None
None
BME  A 602 (-3.9A)
None
None
 1.47A 2n27A-2w3pA:
0.0		 2n27A-2w3pA:
14.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2PL0_A_STIA200_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE LCK)		 2qob EPHRIN RECEPTOR
(Homo
sapiens) 		7 / 12 VAL A 635
ALA A 651
GLU A 670
MET A 674
ILE A 697
THR A 699
ASP A 764
 BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
None
None
None
None
None
 0.94A 2pl0A-2qobA:
18.3		 2pl0A-2qobA:
38.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2POU_A_I7AA1000_1
(CARBONIC ANHYDRASE 2)		 1kop CARBONIC ANHYDRASE
(Neisseria
gonorrhoeae) 		7 / 12 ASN A  64
GLN A  69
HIS A  94
VAL A 113
LEU A 176
THR A 177
THR A 178
 BME  A 303 (-4.7A)
None
ZN  A 301 ( 3.3A)
None
AZI  A 305 (-4.2A)
AZI  A 305 (-3.4A)
AZI  A 305 ( 4.2A)
 1.32A 2pouA-1kopA:
29.4		 2pouA-1kopA:
33.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q6H_A_CXXA801_1
(TRANSPORTER)		 2j5c 1,8-CINEOLE SYNTHASE
(Salvia
fruticosa) 		5 / 11 ARG A 325
ILE A  92
PHE A 124
LEU A 272
ASP A 276
 BME  A1592 ( 4.0A)
None
None
None
None
 0.84A 2q6hA-2j5cA:
undetectable		 2q6hA-2j5cA:
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.
2QB4_A_DSMA801_1
(TRANSPORTER)		 2j5c 1,8-CINEOLE SYNTHASE
(Salvia
fruticosa) 		5 / 12 ARG A 325
ILE A  92
PHE A 124
LEU A 272
ASP A 276
 BME  A1592 ( 4.0A)
None
None
None
None
 0.85A 2qb4A-2j5cA:
undetectable		 2qb4A-2j5cA:
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.
2QEI_A_CXXA801_1
(TRANSPORTER)		 2j5c 1,8-CINEOLE SYNTHASE
(Salvia
fruticosa) 		5 / 11 ARG A 325
ILE A  92
PHE A 124
LEU A 272
ASP A 276
 BME  A1592 ( 4.0A)
None
None
None
None
 0.87A 2qeiA-2j5cA:
undetectable		 2qeiA-2j5cA:
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.
2QJU_A_DSMA801_1
(TRANSPORTER)		 2j5c 1,8-CINEOLE SYNTHASE
(Salvia
fruticosa) 		5 / 11 ARG A 325
ILE A  92
PHE A 124
LEU A 272
ASP A 276
 BME  A1592 ( 4.0A)
None
None
None
None
 0.89A 2qjuA-2j5cA:
undetectable		 2qjuA-2j5cA:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2R5Q_B_1UNB900_1
(PROTEASE)		 3nh9 ATP-BINDING CASSETTE
SUB-FAMILY B MEMBER
6, MITOCHONDRIAL
(Homo
sapiens) 		5 / 9 LEU A 769
ILE A 684
GLY A 687
VAL A 772
ILE A 737
 BME  A   3 ( 4.9A)
None
None
None
None
 1.13A 2r5qA-3nh9A:
undetectable		 2r5qA-3nh9A:
16.84
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.
2R5Q_D_1UND900_1
(PROTEASE)		 3nh9 ATP-BINDING CASSETTE
SUB-FAMILY B MEMBER
6, MITOCHONDRIAL
(Homo
sapiens) 		5 / 9 LEU A 769
ILE A 684
GLY A 687
VAL A 772
ILE A 737
 BME  A   3 ( 4.9A)
None
None
None
None
 1.13A 2r5qC-3nh9A:
undetectable		 2r5qC-3nh9A:
16.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2XFF_A_QPSA600_1
(BETA-AMYLASE)		 1btc BETA-AMYLASE
(Glycine
max) 		10 / 12 ALA A 184
GLU A 186
ARG A 188
TYR A 192
GLN A 194
TRP A 198
SER A 297
GLY A 298
HIS A 300
MET A 346
 BME  A 502 ( 3.9A)
None
None
None
GLC  A 499 ( 4.0A)
None
None
BME  A 504 ( 4.3A)
GLC  A 499 ( 4.0A)
GLC  A 499 (-3.7A)
 0.67A 2xffA-1btcA:
61.8		 2xffA-1btcA:
62.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2XFF_A_QPSA600_1
(BETA-AMYLASE)		 1btc BETA-AMYLASE
(Glycine
max) 		10 / 12 ALA A 184
GLU A 186
ARG A 188
TYR A 192
TRP A 198
PHE A 200
SER A 297
GLY A 298
HIS A 300
MET A 346
 BME  A 502 ( 3.9A)
None
None
None
None
GLC  A 499 ( 3.6A)
None
BME  A 504 ( 4.3A)
GLC  A 499 ( 4.0A)
GLC  A 499 (-3.7A)
 0.50A 2xffA-1btcA:
61.8		 2xffA-1btcA:
62.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2XFF_A_QPSA600_1
(BETA-AMYLASE)		 1btc BETA-AMYLASE
(Glycine
max) 		6 / 12 TYR A 192
GLN A 194
TRP A 198
SER A 297
GLY A 298
THR A 342
 None
GLC  A 499 ( 4.0A)
None
None
BME  A 504 ( 4.3A)
None
 1.10A 2xffA-1btcA:
61.8		 2xffA-1btcA:
62.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2XP2_A_VGHA9000_1
(TYROSINE-PROTEIN
KINASE RECEPTOR)		 2qob EPHRIN RECEPTOR
(Homo
sapiens) 		6 / 9 VAL A 635
ALA A 651
MET A 702
GLY A 705
LEU A 753
ASP A 764
 BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
PTR  A 701 ( 3.5A)
None
None
None
 0.47A 2xp2A-2qobA:
34.3		 2xp2A-2qobA:
33.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XPW_A_OTCA222_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		 1zsw GLYOXALASE FAMILY
PROTEIN
(Bacillus
cereus) 		5 / 12 PHE A 256
HIS A   9
GLN A  39
ILE A 251
SER A 258
 BME  A 316 (-4.7A)
ZN  A 315 ( 3.3A)
BME  A 316 ( 4.9A)
None
BME  A 316 ( 4.7A)
 1.22A 2xpwA-1zswA:
0.0		 2xpwA-1zswA:
17.44
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.
2Y7J_A_B49A1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)		 2qob EPHRIN RECEPTOR
(Homo
sapiens) 		6 / 12 VAL A 635
ALA A 651
ILE A 683
MET A 702
GLY A 705
LEU A 753
 BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
None
PTR  A 701 ( 3.5A)
None
None
 0.66A 2y7jA-2qobA:
25.5		 2y7jA-2qobA:
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.
2Y7J_B_B49B1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)		 2qob EPHRIN RECEPTOR
(Homo
sapiens) 		6 / 10 VAL A 635
ALA A 651
ILE A 683
MET A 702
GLY A 705
LEU A 753
 BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
None
PTR  A 701 ( 3.5A)
None
None
 0.59A 2y7jB-2qobA:
20.0		 2y7jB-2qobA:
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.
2Y7J_C_B49C1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)		 2qob EPHRIN RECEPTOR
(Homo
sapiens) 		6 / 10 VAL A 635
ALA A 651
ILE A 683
MET A 702
GLY A 705
LEU A 753
 BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
None
PTR  A 701 ( 3.5A)
None
None
 0.64A 2y7jC-2qobA:
25.5		 2y7jC-2qobA:
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.
2Y7J_D_B49D1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)		 2qob EPHRIN RECEPTOR
(Homo
sapiens) 		6 / 10 VAL A 635
ALA A 651
ILE A 683
MET A 702
GLY A 705
LEU A 753
 BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
None
PTR  A 701 ( 3.5A)
None
None
 0.57A 2y7jD-2qobA:
25.9		 2y7jD-2qobA:
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.
2ZLC_A_VDXA500_1
(VITAMIN D3 RECEPTOR)		 5z0c NEROL DEHYDROGENASE
(Persicaria
minor) 		5 / 12 LEU A 196
SER A  53
CYH A  51
HIS A 260
LEU A 265
 BME  A 405 (-3.9A)
ZN  A 402 ( 3.9A)
ZN  A 402 (-2.3A)
None
None
 1.14A 2zlcA-5z0cA:
undetectable		 2zlcA-5z0cA:
15.13
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.
2ZXW_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		 2igp RETINOBLASTOMA-ASSOC
IATED PROTEIN HEC
(Homo
sapiens) 		4 / 6 LEU A 185
ARG A  97
THR A 104
LEU A 103
 None
BME  A 269 (-3.2A)
None
None
 0.99A 2zxwA-2igpA:
undetectable
2zxwJ-2igpA:
undetectable		 2zxwA-2igpA:
12.50
2zxwJ-2igpA:
15.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZZN_B_SAMB402_0
(UNCHARACTERIZED
PROTEIN MJ0883)		 2w3p BENZOYL-COA-DIHYDROD
IOL LYASE
(Paraburkholderia
xenovorans) 		5 / 12 PHE A  90
LEU A 171
GLY A  93
ILE A  36
ASP A  37
 None
None
None
BME  A 602 (-3.9A)
None
 1.31A 2zznB-2w3pA:
undetectable		 2zznB-2w3pA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AVP_A_MV2A313_1
(PANTOTHENATE KINASE)		 1btc BETA-AMYLASE
(Glycine
max) 		4 / 7 VAL A 363
ASP A 348
ILE A 394
ASN A 397
 BME  A 504 (-4.5A)
None
None
None
 0.97A 3avpA-1btcA:
0.0		 3avpA-1btcA:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AXT_A_SAMA397_0
(PROBABLE
N(2),N(2)-DIMETHYLGU
ANOSINE TRNA
METHYLTRANSFERASE
TRM1)		 5z0c NEROL DEHYDROGENASE
(Persicaria
minor) 		5 / 12 LEU A 196
ILE A 252
ILE A 170
SER A 174
ALA A 168
 BME  A 405 (-3.9A)
None
None
None
None
 1.20A 3axtA-5z0cA:
6.2		 3axtA-5z0cA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BBT_B_FMMB91_1
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4)		 2qob EPHRIN RECEPTOR
(Homo
sapiens) 		6 / 12 VAL A 635
ALA A 651
LEU A 685
THR A 699
GLY A 705
LEU A 753
 BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
None
None
None
None
 0.69A 3bbtB-2qobA:
25.1		 3bbtB-2qobA:
35.49
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.
3BGD_A_PM6A302_1
(THIOPURINE
S-METHYLTRANSFERASE)		 1pc6 PROTEIN NINB
(Escherichia
virus
Lambda) 		4 / 6 THR A  77
PHE A  76
LEU A  49
LEU A  53
 BME  A 300 (-3.4A)
None
None
None
 0.88A 3bgdA-1pc6A:
0.0		 3bgdA-1pc6A:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BGD_B_PM6B302_1
(THIOPURINE
S-METHYLTRANSFERASE)		 1pc6 PROTEIN NINB
(Escherichia
virus
Lambda) 		4 / 7 THR A  77
PHE A  76
LEU A  49
LEU A  53
 BME  A 300 (-3.4A)
None
None
None
 0.85A 3bgdB-1pc6A:
undetectable		 3bgdB-1pc6A:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BJW_H_SVRH504_3
(PHOSPHOLIPASE A2)		 4ich TRANSCRIPTIONAL
REGULATOR
(Saccharomonospor
a
viridis) 		5 / 11 VAL A 258
LEU A 259
GLY A 255
ILE A 251
THR A 183
 BME  A 301 (-4.6A)
None
None
B3P  A 302 ( 4.9A)
None
 1.31A 3bjwH-4ichA:
undetectable		 3bjwH-4ichA:
16.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BL1_A_BL1A300_1
(CARBONIC ANHYDRASE 2)		 1kop CARBONIC ANHYDRASE
(Neisseria
gonorrhoeae) 		10 / 12 ASN A  64
GLN A  90
HIS A  92
HIS A  94
HIS A 111
VAL A 123
LEU A 176
THR A 177
THR A 178
TRP A 187
 BME  A 303 (-4.7A)
None
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.2A)
None
AZI  A 305 (-4.2A)
AZI  A 305 (-3.4A)
AZI  A 305 ( 4.2A)
None
 0.41A 3bl1A-1kopA:
29.4		 3bl1A-1kopA:
33.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CFQ_A_DIFA1_1
(TRANSTHYRETIN)		 1e6b GLUTATHIONE
S-TRANSFERASE
(Arabidopsis
thaliana) 		4 / 6 LEU A 147
ALA A 159
LEU A 150
THR A 160
 None
None
None
BME  A 389 ( 4.9A)
 0.95A 3cfqA-1e6bA:
undetectable		 3cfqA-1e6bA:
19.07
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.
3CFQ_B_DIFB1_1
(TRANSTHYRETIN)		 1e6b GLUTATHIONE
S-TRANSFERASE
(Arabidopsis
thaliana) 		4 / 7 LEU A 147
ALA A 159
LEU A 150
THR A 160
 None
None
None
BME  A 389 ( 4.9A)
 0.99A 3cfqA-1e6bA:
undetectable
3cfqB-1e6bA:
undetectable		 3cfqA-1e6bA:
19.07
3cfqB-1e6bA:
19.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CLA_A_CLMA221_0
(TYPE III
CHLORAMPHENICOL
ACETYLTRANSFERASE)		 1cia CHLORAMPHENICOL
ACETYLTRANSFERASE
(Escherichia
coli) 		8 / 9 GLN A  92
ALA A 105
PHE A 135
ASN A 146
LEU A 160
VAL A 162
TYR A 168
ILE A 172
 None
BME  A 536 ( 4.3A)
None
None
None
None
None
None
 0.28A 3claA-1ciaA:
37.4		 3claA-1ciaA:
99.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CR5_X_PNTX95_0
(PROTEIN S100-B)		 2jpt PROTEIN S100-A1
(Bos
taurus) 		3 / 3 CYH A  85
PHE A  88
PHE A  89
 BME  A  94 (-2.0A)
None
BME  A  94 ( 4.9A)
 0.81A 3cr5X-2jptA:
4.8		 3cr5X-2jptA:
58.06
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.
3CZH_A_D2VA602_2
(CYTOCHROME P450 2R1)		 4qmk TYPE III SECRETION
SYSTEM EFFECTOR
PROTEIN EXOU
(Pseudomonas
fluorescens) 		3 / 3 LEU A 117
GLU A 179
ILE A 176
 BME  A 700 ( 4.9A)
None
None
 0.58A 3czhA-4qmkA:
undetectable		 3czhA-4qmkA:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3D2T_A_1FLA502_1
(TRANSTHYRETIN)		 1e6b GLUTATHIONE
S-TRANSFERASE
(Arabidopsis
thaliana) 		4 / 7 LEU A 147
ALA A 159
LEU A 150
THR A 160
 None
None
None
BME  A 389 ( 4.9A)
 1.00A 3d2tA-1e6bA:
undetectable		 3d2tA-1e6bA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DCM_X_SAMX5452_0
(UNCHARACTERIZED
PROTEIN TM_1570)		 3onp TRNA/RRNA
METHYLTRANSFERASE
(SPOU)
(Rhodobacter
sphaeroides) 		5 / 11 THR A  80
ALA A  82
GLY A 116
GLY A 121
LEU A 145
 BME  A 251 ( 4.4A)
BME  A 251 (-3.8A)
ACY  A 250 (-4.5A)
ACY  A 250 (-3.5A)
BME  A 251 ( 3.9A)
 0.73A 3dcmX-3onpA:
14.2		 3dcmX-3onpA:
21.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		 1kop CARBONIC ANHYDRASE
(Neisseria
gonorrhoeae) 		6 / 12 ASN A  64
GLN A  69
HIS A  94
LEU A 176
THR A 177
THR A 178
 BME  A 303 (-4.7A)
None
ZN  A 301 ( 3.3A)
AZI  A 305 (-4.2A)
AZI  A 305 (-3.4A)
AZI  A 305 ( 4.2A)
 1.29A 3f4xA-1kopA:
29.1		 3f4xA-1kopA:
33.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		 1kop CARBONIC ANHYDRASE
(Neisseria
gonorrhoeae) 		6 / 12 ASN A  64
GLN A  69
HIS A  94
VAL A 113
LEU A 176
THR A 178
 BME  A 303 (-4.7A)
None
ZN  A 301 ( 3.3A)
None
AZI  A 305 (-4.2A)
AZI  A 305 ( 4.2A)
 1.39A 3f4xA-1kopA:
29.1		 3f4xA-1kopA:
33.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		 1kop CARBONIC ANHYDRASE
(Neisseria
gonorrhoeae) 		11 / 12 ASN A  64
GLN A  90
HIS A  92
HIS A  94
VAL A 113
VAL A 123
LEU A 176
THR A 177
THR A 178
PRO A 180
TRP A 187
 BME  A 303 (-4.7A)
None
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.3A)
None
None
AZI  A 305 (-4.2A)
AZI  A 305 (-3.4A)
AZI  A 305 ( 4.2A)
None
None
 0.45A 3f4xA-1kopA:
29.1		 3f4xA-1kopA:
33.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		 1kop CARBONIC ANHYDRASE
(Neisseria
gonorrhoeae) 		6 / 12 ASN A  64
HIS A  94
LEU A 176
THR A 177
THR A 178
PRO A 180
 BME  A 303 (-4.7A)
ZN  A 301 ( 3.3A)
AZI  A 305 (-4.2A)
AZI  A 305 (-3.4A)
AZI  A 305 ( 4.2A)
None
 0.95A 3f4xA-1kopA:
29.1		 3f4xA-1kopA:
33.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		 1kop CARBONIC ANHYDRASE
(Neisseria
gonorrhoeae) 		6 / 12 ASN A  64
HIS A  94
VAL A 113
LEU A 176
THR A 178
PRO A 180
 BME  A 303 (-4.7A)
ZN  A 301 ( 3.3A)
None
AZI  A 305 (-4.2A)
AZI  A 305 ( 4.2A)
None
 0.93A 3f4xA-1kopA:
29.1		 3f4xA-1kopA:
33.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FBX_A_ACTA608_0
(PUTATIVE
PHOSPHOLIPASE B-LIKE
2)		 1qmj BETA-GALACTOSIDE-BIN
DING LECTIN
(Gallus
gallus) 		3 / 3 GLU A  86
VAL A  19
CYH A  88
 BME  A 500 (-4.5A)
None
BME  A 500 ( 1.9A)
 1.02A 3fbxA-1qmjA:
0.0		 3fbxA-1qmjA:
12.01
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.
3FBX_A_ACTA608_0
(PUTATIVE
PHOSPHOLIPASE B-LIKE
2)		 5cz3 M64R
(Myxoma
virus) 		3 / 3 GLU A  94
VAL A  93
CYH A  42
 BME  A 301 (-4.3A)
None
BME  A 301 (-1.8A)
 1.06A 3fbxA-5cz3A:
undetectable		 3fbxA-5cz3A:
16.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3FHX_B_PXLB313_1
(PYRIDOXAL KINASE)		 3pzs PYRIDOXAMINE KINASE
(Yersinia
pestis) 		7 / 8 SER A   9
VAL A  38
PHE A  40
HIS A  43
THR A  44
TYR A  82
VAL A 219
 None
None
BME  A 290 (-4.2A)
None
None
None
SO4  A 288 (-3.6A)
 0.59A 3fhxB-3pzsA:
40.4		 3fhxB-3pzsA:
31.43
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.
3FRQ_B_ERYB195_1
(REPRESSOR PROTEIN
MPHR(A))		 4lcv DOUBLE C2-LIKE
DOMAIN-CONTAINING
PROTEIN BETA
(Rattus
norvegicus) 		4 / 7 LYS A 221
ASN A 225
ARG A 181
HIS A 169
 None
None
BME  A 302 (-4.5A)
SO4  A 301 (-4.4A)
 1.19A 3frqB-4lcvA:
undetectable		 3frqB-4lcvA:
19.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3FW3_A_ETSA302_1
(CARBONIC ANHYDRASE 4)		 1kop CARBONIC ANHYDRASE
(Neisseria
gonorrhoeae) 		11 / 12 ASN A  64
HIS A  66
GLN A  90
HIS A  92
HIS A  94
VAL A 113
VAL A 123
LEU A 176
THR A 177
THR A 178
TRP A 187
 BME  A 303 (-4.7A)
BME  A 303 (-3.6A)
None
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.3A)
None
None
AZI  A 305 (-4.2A)
AZI  A 305 (-3.4A)
AZI  A 305 ( 4.2A)
None
 0.48A 3fw3A-1kopA:
27.5		 3fw3A-1kopA:
33.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3FW3_A_ETSA302_1
(CARBONIC ANHYDRASE 4)		 1kop CARBONIC ANHYDRASE
(Neisseria
gonorrhoeae) 		7 / 12 HIS A  66
GLN A  69
HIS A  92
HIS A  94
LEU A 176
THR A 177
THR A 178
 BME  A 303 (-3.6A)
None
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.3A)
AZI  A 305 (-4.2A)
AZI  A 305 (-3.4A)
AZI  A 305 ( 4.2A)
 1.00A 3fw3A-1kopA:
27.5		 3fw3A-1kopA:
33.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3FW3_A_ETSA302_1
(CARBONIC ANHYDRASE 4)		 1kop CARBONIC ANHYDRASE
(Neisseria
gonorrhoeae) 		6 / 12 HIS A  66
GLN A  69
HIS A  94
VAL A 113
LEU A 176
THR A 178
 BME  A 303 (-3.6A)
None
ZN  A 301 ( 3.3A)
None
AZI  A 305 (-4.2A)
AZI  A 305 ( 4.2A)
 1.38A 3fw3A-1kopA:
27.5		 3fw3A-1kopA:
33.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3FW3_A_ETSA302_1
(CARBONIC ANHYDRASE 4)		 1kop CARBONIC ANHYDRASE
(Neisseria
gonorrhoeae) 		6 / 12 HIS A  66
HIS A  94
LEU A 176
THR A 177
THR A 178
TRP A 187
 BME  A 303 (-3.6A)
ZN  A 301 ( 3.3A)
AZI  A 305 (-4.2A)
AZI  A 305 (-3.4A)
AZI  A 305 ( 4.2A)
None
 1.35A 3fw3A-1kopA:
27.5		 3fw3A-1kopA:
33.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3FW3_B_ETSB303_1
(CARBONIC ANHYDRASE 4)		 1kop CARBONIC ANHYDRASE
(Neisseria
gonorrhoeae) 		11 / 12 ASN A  64
GLN A  90
HIS A  92
HIS A  94
HIS A 111
VAL A 113
VAL A 123
LEU A 176
THR A 177
THR A 178
TRP A 187
 BME  A 303 (-4.7A)
None
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.2A)
None
None
AZI  A 305 (-4.2A)
AZI  A 305 (-3.4A)
AZI  A 305 ( 4.2A)
None
 0.37A 3fw3B-1kopA:
27.3		 3fw3B-1kopA:
33.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GCS_A_BAXA401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		 2qob EPHRIN RECEPTOR
(Homo
sapiens) 		5 / 12 VAL A 635
ALA A 651
GLU A 670
ILE A 683
THR A 699
 BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
None
None
None
 0.89A 3gcsA-2qobA:
20.7		 3gcsA-2qobA:
25.19
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.
3GCS_A_BAXA401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		 2qob EPHRIN RECEPTOR
(Homo
sapiens) 		5 / 12 VAL A 635
ALA A 651
ILE A 683
THR A 699
HIS A 744
 BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
None
None
None
 0.99A 3gcsA-2qobA:
20.7		 3gcsA-2qobA:
25.19
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.
3GP0_A_NILA1_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 11)		 2qob EPHRIN RECEPTOR
(Homo
sapiens) 		6 / 12 VAL A 635
ALA A 651
GLU A 670
ILE A 683
THR A 699
ASP A 764
 BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
None
None
None
None
 1.01A 3gp0A-2qobA:
21.9		 3gp0A-2qobA:
26.30
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.
3H52_B_486B1_2
(GLUCOCORTICOID
RECEPTOR)		 1geg ACETOIN REDUCTASE
(Klebsiella
pneumoniae) 		5 / 12 GLY A 183
VAL A 185
LEU A 218
CYH A 230
ILE A  14
 BME  A1462 ( 3.9A)
NAD  A2001 (-3.6A)
None
None
NAD  A2001 (-3.9A)
 1.23A 3h52B-1gegA:
undetectable		 3h52B-1gegA:
18.93
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.
3HEG_A_BAXA1_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		 2qob EPHRIN RECEPTOR
(Homo
sapiens) 		7 / 12 VAL A 627
VAL A 635
ALA A 651
LYS A 653
GLU A 670
ILE A 683
THR A 699
 None
BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
None
None
None
None
 0.84A 3hegA-2qobA:
17.7		 3hegA-2qobA:
24.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HKU_A_TORA300_1
(CARBONIC ANHYDRASE 2)		 1kop CARBONIC ANHYDRASE
(Neisseria
gonorrhoeae) 		6 / 12 ASN A  64
GLN A  69
HIS A  94
VAL A 113
LEU A 176
THR A 178
 BME  A 303 (-4.7A)
None
ZN  A 301 ( 3.3A)
None
AZI  A 305 (-4.2A)
AZI  A 305 ( 4.2A)
 1.29A 3hkuA-1kopA:
29.4		 3hkuA-1kopA:
33.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HKU_A_TORA300_1
(CARBONIC ANHYDRASE 2)		 1kop CARBONIC ANHYDRASE
(Neisseria
gonorrhoeae) 		9 / 12 ASN A  64
GLN A  90
HIS A  92
HIS A  94
VAL A 113
VAL A 123
LEU A 176
THR A 178
TRP A 187
 BME  A 303 (-4.7A)
None
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.3A)
None
None
AZI  A 305 (-4.2A)
AZI  A 305 ( 4.2A)
None
 0.41A 3hkuA-1kopA:
29.4		 3hkuA-1kopA:
33.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HM1_B_J3ZB1_1
(ESTROGEN RECEPTOR)		 1t8h YLMD PROTEIN
SEQUENCE HOMOLOGUE
(Geobacillus
stearothermophil
us) 		5 / 11 LEU A 264
LEU A  62
LEU A 117
GLY A  95
LEU A  46
 None
None
None
None
BME  A 301 (-4.4A)
 1.27A 3hm1B-1t8hA:
undetectable		 3hm1B-1t8hA:
22.41
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.
3IA4_D_MTXD164_2
(DIHYDROFOLATE
REDUCTASE)		 3nh9 ATP-BINDING CASSETTE
SUB-FAMILY B MEMBER
6, MITOCHONDRIAL
(Homo
sapiens) 		3 / 3 ARG A 634
ILE A 779
THR A 787
 ATP  A   1 (-3.3A)
None
BME  A   3 ( 4.3A)
 0.74A 3ia4D-3nh9A:
undetectable		 3ia4D-3nh9A:
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.
3KVV_A_URFA254_1
(URIDINE
PHOSPHORYLASE)		 3oga NUCLEOSIDE
TRIPHOSPHATASE NUDI
(Salmonella
enterica) 		4 / 6 GLY A  37
ARG A  52
ILE A   6
VAL A   7
 None
None
BME  A 142 ( 4.7A)
None
 1.01A 3kvvA-3ogaA:
undetectable		 3kvvA-3ogaA:
19.63
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.
3KVV_B_URFB254_1
(URIDINE
PHOSPHORYLASE)		 3oga NUCLEOSIDE
TRIPHOSPHATASE NUDI
(Salmonella
enterica) 		4 / 6 GLY A  37
ARG A  52
ILE A   6
VAL A   7
 None
None
BME  A 142 ( 4.7A)
None
 0.92A 3kvvB-3ogaA:
undetectable		 3kvvB-3ogaA:
19.63
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.
3KVV_C_URFC254_1
(URIDINE
PHOSPHORYLASE)		 3oga NUCLEOSIDE
TRIPHOSPHATASE NUDI
(Salmonella
enterica) 		4 / 6 GLY A  37
ARG A  52
ILE A   6
VAL A   7
 None
None
BME  A 142 ( 4.7A)
None
 0.98A 3kvvC-3ogaA:
undetectable		 3kvvC-3ogaA:
19.63
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.
3KVV_D_URFD254_1
(URIDINE
PHOSPHORYLASE)		 3oga NUCLEOSIDE
TRIPHOSPHATASE NUDI
(Salmonella
enterica) 		4 / 6 GLY A  37
ARG A  52
ILE A   6
VAL A   7
 None
None
BME  A 142 ( 4.7A)
None
 0.88A 3kvvD-3ogaA:
undetectable		 3kvvD-3ogaA:
19.63
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.
3KVV_E_URFE254_1
(URIDINE
PHOSPHORYLASE)		 3oga NUCLEOSIDE
TRIPHOSPHATASE NUDI
(Salmonella
enterica) 		4 / 6 GLY A  37
ARG A  52
ILE A   6
VAL A   7
 None
None
BME  A 142 ( 4.7A)
None
 0.93A 3kvvE-3ogaA:
undetectable		 3kvvE-3ogaA:
19.63
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.
3KVV_F_URFF254_1
(URIDINE
PHOSPHORYLASE)		 3oga NUCLEOSIDE
TRIPHOSPHATASE NUDI
(Salmonella
enterica) 		4 / 6 GLY A  37
ARG A  52
ILE A   6
VAL A   7
 None
None
BME  A 142 ( 4.7A)
None
 0.97A 3kvvF-3ogaA:
undetectable		 3kvvF-3ogaA:
19.63
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.
3LM8_C_VIBC223_1
(THIAMINE
PYROPHOSPHOKINASE)		 2i4a THIOREDOXIN
(Acetobacter
aceti) 		4 / 8 LYS A  57
ASP A  26
LEU A  99
LEU A  78
 BME  A1001 (-2.9A)
None
None
None
 1.00A 3lm8A-2i4aA:
undetectable
3lm8C-2i4aA:
undetectable		 3lm8A-2i4aA:
17.57
3lm8C-2i4aA:
17.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MS9_A_STIA1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 2qob EPHRIN RECEPTOR
(Homo
sapiens) 		6 / 12 VAL A 635
ALA A 651
GLU A 670
MET A 674
THR A 699
ASP A 764
 BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
None
None
None
None
 1.03A 3ms9A-2qobA:
26.4		 3ms9A-2qobA:
34.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MSS_A_STIA1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 2qob EPHRIN RECEPTOR
(Homo
sapiens) 		6 / 12 VAL A 635
ALA A 651
GLU A 670
MET A 674
THR A 699
ASP A 764
 BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
None
None
None
None
 1.08A 3mssA-2qobA:
26.5		 3mssA-2qobA:
34.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MSS_C_STIC1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 2qob EPHRIN RECEPTOR
(Homo
sapiens) 		6 / 12 VAL A 635
ALA A 651
GLU A 670
MET A 674
THR A 699
ASP A 764
 BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
None
None
None
None
 1.08A 3mssC-2qobA:
26.5		 3mssC-2qobA:
34.29
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.
3NK7_B_SAMB770_0
(23S RRNA
METHYLTRANSFERASE)		 3onp TRNA/RRNA
METHYLTRANSFERASE
(SPOU)
(Rhodobacter
sphaeroides) 		5 / 12 ASN A  17
PHE A 115
GLY A 116
GLY A 121
LEU A 145
 CL  A 253 (-4.4A)
None
ACY  A 250 (-4.5A)
ACY  A 250 (-3.5A)
BME  A 251 ( 3.9A)
 0.91A 3nk7B-3onpA:
16.5		 3nk7B-3onpA:
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.
3OHT_A_1N1A1000_1
(P38A)		 2qob EPHRIN RECEPTOR
(Homo
sapiens) 		7 / 12 VAL A 627
GLY A 628
VAL A 635
ALA A 651
ILE A 683
THR A 699
LEU A 753
 None
None
BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
None
None
None
 1.07A 3ohtA-2qobA:
5.7		 3ohtA-2qobA:
24.46
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.
3OHT_A_1N1A1000_1
(P38A)		 2qob EPHRIN RECEPTOR
(Homo
sapiens) 		7 / 12 VAL A 627
GLY A 628
VAL A 635
ALA A 651
LYS A 653
ILE A 683
LEU A 753
 None
None
BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
None
None
None
 1.17A 3ohtA-2qobA:
5.7		 3ohtA-2qobA:
24.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PYY_A_STIA3_1
(V-ABL ABELSON MURINE
LEUKEMIA VIRAL
ONCOGENE HOMOLOG 1
ISOFORM B VARIANT)		 2qob EPHRIN RECEPTOR
(Homo
sapiens) 		6 / 12 VAL A 635
ALA A 651
GLU A 670
MET A 674
THR A 699
ASP A 764
 BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
None
None
None
None
 1.08A 3pyyA-2qobA:
26.7		 3pyyA-2qobA:
34.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3SXR_A_1N1A1_1
(CYTOPLASMIC
TYROSINE-PROTEIN
KINASE BMX)		 2qob EPHRIN RECEPTOR
(Homo
sapiens) 		7 / 12 VAL A 635
ALA A 651
MET A 674
ILE A 697
THR A 699
GLY A 705
LEU A 753
 BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
None
None
None
None
None
 0.66A 3sxrA-2qobA:
32.1		 3sxrA-2qobA:
32.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3THR_B_C2FB1700_0
(GLYCINE
N-METHYLTRANSFERASE)		 1r8y GLYCINE
N-METHYLTRANSFERASE
(Mus
musculus) 		4 / 4 LYS A 190
TYR A 279
VAL A 280
CYH A 282
 None
None
None
BME  A1282 (-2.0A)
 0.63A 3thrB-1r8yA:
43.0		 3thrB-1r8yA:
95.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UE4_B_DB8B601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 2qob EPHRIN RECEPTOR
(Homo
sapiens) 		7 / 12 VAL A 635
ALA A 651
MET A 674
ILE A 697
THR A 699
GLY A 705
LEU A 753
 BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
None
None
None
None
None
 0.84A 3ue4B-2qobA:
27.4		 3ue4B-2qobA:
34.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UJ6_A_SAMA300_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		 4iv8 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE
(Plasmodium
knowlesi) 		5 / 12 GLY A  61
CYH A  85
ILE A 109
ARG A 125
ASP A 126
 SAM  A 301 (-3.5A)
BME  A 302 (-1.9A)
SAM  A 301 (-4.1A)
None
None
 0.83A 3uj6A-4iv8A:
35.4		 3uj6A-4iv8A:
59.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UJ6_A_SAMA300_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		 4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE
(Plasmodium
vivax) 		7 / 12 TYR A  16
ILE A  33
GLY A  60
CYH A  84
ILE A 108
ARG A 124
ASP A 125
 SAM  A 301 ( 4.3A)
SAM  A 301 (-4.3A)
SAM  A 301 (-3.7A)
BME  A 303 (-1.9A)
SAM  A 301 (-4.0A)
None
None
 0.74A 3uj6A-4mwzA:
41.6		 3uj6A-4mwzA:
63.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UJ7_A_SAMA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		 4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE
(Plasmodium
vivax) 		7 / 12 TYR A  16
ILE A  33
GLY A  60
CYH A  84
ILE A 108
ARG A 124
ASP A 125
 SAM  A 301 ( 4.3A)
SAM  A 301 (-4.3A)
SAM  A 301 (-3.7A)
BME  A 303 (-1.9A)
SAM  A 301 (-4.0A)
None
None
 0.72A 3uj7A-4mwzA:
41.5		 3uj7A-4mwzA:
63.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UJ7_B_SAMB302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		 4iv8 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE
(Plasmodium
knowlesi) 		5 / 12 GLY A  61
GLY A  63
CYH A  85
ARG A 125
ASP A 126
 SAM  A 301 (-3.5A)
SAM  A 301 ( 3.9A)
BME  A 302 (-1.9A)
None
None
 0.80A 3uj7B-4iv8A:
35.5		 3uj7B-4iv8A:
59.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UJ7_B_SAMB302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		 4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE
(Plasmodium
vivax) 		6 / 12 ILE A  33
GLY A  60
GLY A  62
CYH A  84
ARG A 124
ASP A 125
 SAM  A 301 (-4.3A)
SAM  A 301 (-3.7A)
SAM  A 301 ( 3.8A)
BME  A 303 (-1.9A)
None
None
 0.74A 3uj7B-4mwzA:
41.5		 3uj7B-4mwzA:
63.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W67_D_VIVD301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		 3kys TRANSCRIPTIONAL
ENHANCER FACTOR
TEF-1
(Homo
sapiens) 		5 / 12 VAL A 293
SER A 295
ILE A 372
VAL A 376
LEU A 386
 None
None
BME  A 700 ( 4.9A)
None
None
 1.23A 3w67D-3kysA:
undetectable		 3w67D-3kysA:
20.74
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.
3ZNC_A_BZ1A500_1
(CARBONIC ANHYDRASE
IV)		 2jls SERINE PROTEASE
SUBUNIT NS3
(Dengue
virus) 		5 / 10 VAL A 544
PHE A 533
LEU A 270
THR A 267
THR A 266
 None
None
None
BME  A1621 (-3.6A)
BME  A1621 (-4.1A)
 1.25A 3zncA-2jlsA:
undetectable		 3zncA-2jlsA:
19.09
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.
4A79_B_P1BB601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		 3nh9 ATP-BINDING CASSETTE
SUB-FAMILY B MEMBER
6, MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 LEU A 621
LEU A 749
ILE A 590
ILE A 632
PHE A 637
 None
None
None
None
BME  A   2 ( 4.4A)
 1.42A 4a79B-3nh9A:
undetectable		 4a79B-3nh9A:
19.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ANQ_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 2qob EPHRIN RECEPTOR
(Homo
sapiens) 		6 / 9 VAL A 635
ALA A 651
MET A 702
GLY A 705
LEU A 753
ASP A 764
 BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
PTR  A 701 ( 3.5A)
None
None
None
 0.43A 4anqA-2qobA:
34.1		 4anqA-2qobA:
32.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ANS_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 2qob EPHRIN RECEPTOR
(Homo
sapiens) 		6 / 9 VAL A 635
ALA A 651
MET A 702
GLY A 705
LEU A 753
ASP A 764
 BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
PTR  A 701 ( 3.5A)
None
None
None
 0.41A 4ansA-2qobA:
34.0		 4ansA-2qobA:
32.56
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.
4B7Q_C_ZMRC601_2
(NEURAMINIDASE)		 5ugz PUTATIVE
THIOESTERASE
(Escherichia
coli) 		3 / 3 ARG A  40
ARG A  43
ILE A 154
 None
BME  A 301 ( 4.6A)
None
 0.90A 4b7qC-5ugzA:
undetectable		 4b7qC-5ugzA:
18.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BKJ_A_STIA1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 2qob EPHRIN RECEPTOR
(Homo
sapiens) 		6 / 12 VAL A 635
ALA A 651
ILE A 673
ILE A 683
THR A 699
ASP A 764
 BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
None
None
None
None
 0.77A 4bkjA-2qobA:
24.6		 4bkjA-2qobA:
34.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BKJ_B_STIB1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 2qob EPHRIN RECEPTOR
(Homo
sapiens) 		8 / 12 VAL A 635
ALA A 651
GLU A 670
ILE A 673
MET A 674
ILE A 683
THR A 699
ASP A 764
 BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
None
None
None
None
None
None
 1.06A 4bkjB-2qobA:
24.7		 4bkjB-2qobA:
34.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BKJ_B_STIB1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 2qob EPHRIN RECEPTOR
(Homo
sapiens) 		7 / 12 VAL A 635
ALA A 651
ILE A 673
MET A 674
ILE A 683
THR A 699
LEU A 753
 BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
None
None
None
None
None
 1.16A 4bkjB-2qobA:
24.7		 4bkjB-2qobA:
34.36
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.
4C9N_A_CAMA1419_0
(CYTOCHROME P450)		 2w3p BENZOYL-COA-DIHYDROD
IOL LYASE
(Paraburkholderia
xenovorans) 		4 / 8 LEU A  82
LEU A  34
GLY A  35
VAL A  59
 None
None
None
BME  A 602 (-4.6A)
 0.78A 4c9nA-2w3pA:
undetectable		 4c9nA-2w3pA:
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.
4CKI_A_ADNA2022_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET)		 2qob EPHRIN RECEPTOR
(Homo
sapiens) 		6 / 11 GLY A 628
GLY A 630
VAL A 635
ALA A 651
GLY A 705
LEU A 753
 None
None
BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
None
None
 0.92A 4ckiA-2qobA:
33.6		 4ckiA-2qobA:
29.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4CLA_A_CLMA221_0
(TYPE III
CHLORAMPHENICOL
ACETYLTRANSFERASE)		 1cia CHLORAMPHENICOL
ACETYLTRANSFERASE
(Escherichia
coli) 		9 / 11 GLN A  92
THR A  94
ALA A 105
LEU A 134
PHE A 135
ASN A 146
VAL A 162
TYR A 168
ILE A 172
 None
None
BME  A 536 ( 4.3A)
None
None
None
None
None
None
 0.22A 4claA-1ciaA:
37.3		 4claA-1ciaA:
99.06
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.
4CPZ_C_ZMRC1470_2
(NEURAMINIDASE)		 5wxi EARP
(Neisseria
meningitidis) 		3 / 3 ARG A  29
ARG A  26
TRP A  25
 None
None
BME  A 402 (-4.2A)
 1.47A 4cpzC-5wxiA:
undetectable		 4cpzC-5wxiA:
10.26
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.
4CPZ_E_ZMRE1471_2
(NEURAMINIDASE)		 5wxi EARP
(Neisseria
meningitidis) 		3 / 3 ARG A  29
ARG A  26
TRP A  25
 None
None
BME  A 402 (-4.2A)
 1.39A 4cpzE-5wxiA:
undetectable		 4cpzE-5wxiA:
10.26
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.
4CPZ_H_ZMRH1470_2
(NEURAMINIDASE)		 5wxi EARP
(Neisseria
meningitidis) 		3 / 3 ARG A  29
ARG A  26
TRP A  25
 None
None
BME  A 402 (-4.2A)
 1.45A 4cpzH-5wxiA:
undetectable		 4cpzH-5wxiA:
10.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4CSV_A_STIA1265_1
(SRC-ABL TYROSINE
KINASE ANCESTOR)		 2qob EPHRIN RECEPTOR
(Homo
sapiens) 		7 / 12 VAL A 635
ALA A 651
GLU A 670
ILE A 673
MET A 674
THR A 699
ASP A 764
 BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
None
None
None
None
None
 0.94A 4csvA-2qobA:
27.5		 4csvA-2qobA:
39.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DTZ_A_LDPA501_1
(CYTOCHROME P450 BM3
VARIANT 8C8)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		4 / 6 ALA A 218
ALA A 253
PRO A 252
LEU A 235
 None
NAP  A   1 (-3.5A)
BME  A 327 (-4.5A)
None
 0.92A 4dtzA-2ipjA:
undetectable		 4dtzA-2ipjA:
21.41
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.
4DTZ_B_LDPB501_1
(CYTOCHROME P450 BM3
VARIANT 8C8)		 1s3i 10-FORMYLTETRAHYDROF
OLATE DEHYDROGENASE
(Rattus
norvegicus) 		4 / 6 ALA A 184
ALA A 188
PRO A 189
THR A 187
 None
None
BME  A 312 (-4.8A)
None
 1.04A 4dtzB-1s3iA:
undetectable		 4dtzB-1s3iA:
22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DTZ_B_LDPB501_1
(CYTOCHROME P450 BM3
VARIANT 8C8)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		4 / 6 ALA A 218
ALA A 253
PRO A 252
LEU A 235
 None
NAP  A   1 (-3.5A)
BME  A 327 (-4.5A)
None
 0.93A 4dtzB-2ipjA:
undetectable		 4dtzB-2ipjA:
21.41
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.
4DU2_A_LDPA501_1
(CYTOCHROME P450 BM3
VARIANT B7)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		4 / 7 ALA A 218
ALA A 253
PRO A 252
LEU A 235
 None
NAP  A   1 (-3.5A)
BME  A 327 (-4.5A)
None
 0.90A 4du2A-2ipjA:
undetectable		 4du2A-2ipjA:
21.37
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.
4DU2_B_LDPB501_1
(CYTOCHROME P450 BM3
VARIANT B7)		 2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens) 		4 / 7 ALA A 218
ALA A 253
PRO A 252
LEU A 235
 None
NAP  A   1 (-3.5A)
BME  A 327 (-4.5A)
None
 0.92A 4du2B-2ipjA:
undetectable		 4du2B-2ipjA:
21.37
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.
4DX7_A_DM2A1105_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		 3fnb ACYLAMINOACYL
PEPTIDASE SMU_737
(Streptococcus
mutans) 		5 / 11 PHE A  24
THR A 167
GLY A 196
ASN A 297
GLN A 195
 None
BME  A 403 ( 4.9A)
None
None
None
 1.42A 4dx7A-3fnbA:
0.0		 4dx7A-3fnbA:
17.23
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.
4E1V_A_URFA1301_1
(URIDINE
PHOSPHORYLASE)		 3oga NUCLEOSIDE
TRIPHOSPHATASE NUDI
(Salmonella
enterica) 		4 / 8 GLY A  37
ARG A  52
ILE A   6
VAL A   7
 None
None
BME  A 142 ( 4.7A)
None
 0.88A 4e1vA-3ogaA:
undetectable		 4e1vA-3ogaA:
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.
4E1V_B_URFB1301_1
(URIDINE
PHOSPHORYLASE)		 3oga NUCLEOSIDE
TRIPHOSPHATASE NUDI
(Salmonella
enterica) 		4 / 7 GLY A  37
ARG A  52
ILE A   6
VAL A   7
 None
None
BME  A 142 ( 4.7A)
None
 0.89A 4e1vB-3ogaA:
undetectable		 4e1vB-3ogaA:
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.
4E1V_C_URFC1301_1
(URIDINE
PHOSPHORYLASE)		 3oga NUCLEOSIDE
TRIPHOSPHATASE NUDI
(Salmonella
enterica) 		4 / 8 GLY A  37
ARG A  52
ILE A   6
VAL A   7
 None
None
BME  A 142 ( 4.7A)
None
 0.88A 4e1vC-3ogaA:
undetectable		 4e1vC-3ogaA:
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.
4E1V_D_URFD1301_1
(URIDINE
PHOSPHORYLASE)		 3oga NUCLEOSIDE
TRIPHOSPHATASE NUDI
(Salmonella
enterica) 		4 / 8 GLY A  37
ARG A  52
ILE A   6
VAL A   7
 None
None
BME  A 142 ( 4.7A)
None
 0.92A 4e1vD-3ogaA:
undetectable		 4e1vD-3ogaA:
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.
4E1V_E_URFE1301_1
(URIDINE
PHOSPHORYLASE)		 3oga NUCLEOSIDE
TRIPHOSPHATASE NUDI
(Salmonella
enterica) 		4 / 8 GLY A  37
ARG A  52
ILE A   6
VAL A   7
 None
None
BME  A 142 ( 4.7A)
None
 0.90A 4e1vE-3ogaA:
undetectable		 4e1vE-3ogaA:
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.
4E1V_F_URFF1301_1
(URIDINE
PHOSPHORYLASE)		 3oga NUCLEOSIDE
TRIPHOSPHATASE NUDI
(Salmonella
enterica) 		4 / 6 GLY A  37
ARG A  52
ILE A   6
VAL A   7
 None
None
BME  A 142 ( 4.7A)
None
 0.86A 4e1vF-3ogaA:
undetectable		 4e1vF-3ogaA:
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.
4E1V_H_URFH1301_1
(URIDINE
PHOSPHORYLASE)		 3oga NUCLEOSIDE
TRIPHOSPHATASE NUDI
(Salmonella
enterica) 		4 / 8 GLY A  37
ARG A  52
ILE A   6
VAL A   7
 None
None
BME  A 142 ( 4.7A)
None
 0.90A 4e1vH-3ogaA:
undetectable		 4e1vH-3ogaA:
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.
4EIL_E_FOLE703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2w3p BENZOYL-COA-DIHYDROD
IOL LYASE
(Paraburkholderia
xenovorans) 		5 / 11 SER A  92
PHE A  97
LEU A  50
VAL A  59
THR A 178
 None
None
None
BME  A 602 (-4.6A)
BME  A 601 (-4.1A)
 1.44A 4eilE-2w3pA:
2.5		 4eilE-2w3pA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EY6_A_GNTA604_1
(ACETYLCHOLINESTERASE)		 3fnb ACYLAMINOACYL
PEPTIDASE SMU_737
(Streptococcus
mutans) 		5 / 12 GLY A 164
GLY A 165
TYR A 301
SER A 233
HIS A 377
 None
PGE  A 404 ( 4.1A)
PGE  A 404 ( 3.7A)
BME  A 403 ( 4.0A)
BME  A 403 (-4.4A)
 0.90A 4ey6A-3fnbA:
14.8		 4ey6A-3fnbA:
19.31
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.
4EY6_B_GNTB605_1
(ACETYLCHOLINESTERASE)		 3fnb ACYLAMINOACYL
PEPTIDASE SMU_737
(Streptococcus
mutans) 		5 / 12 GLY A 164
GLY A 165
TYR A 301
SER A 233
HIS A 377
 None
PGE  A 404 ( 4.1A)
PGE  A 404 ( 3.7A)
BME  A 403 ( 4.0A)
BME  A 403 (-4.4A)
 0.88A 4ey6B-3fnbA:
14.3		 4ey6B-3fnbA:
19.31
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.
4FOX_A_D16A301_1
(THYMIDYLATE SYNTHASE)		 2w3p BENZOYL-COA-DIHYDROD
IOL LYASE
(Paraburkholderia
xenovorans) 		5 / 12 ILE A  36
LEU A  50
LEU A 147
GLY A 144
PHE A  90
 BME  A 602 (-3.9A)
None
BME  A 602 (-4.6A)
None
None
 1.19A 4foxA-2w3pA:
undetectable		 4foxA-2w3pA:
19.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOX_B_D16B302_1
(THYMIDYLATE SYNTHASE)		 2w3p BENZOYL-COA-DIHYDROD
IOL LYASE
(Paraburkholderia
xenovorans) 		5 / 12 ILE A  36
LEU A  50
LEU A 147
GLY A 144
PHE A  90
 BME  A 602 (-3.9A)
None
BME  A 602 (-4.6A)
None
None
 1.13A 4foxB-2w3pA:
undetectable		 4foxB-2w3pA:
19.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FWD_A_BO2A801_1
(TTC1975 PEPTIDASE)		 1qdn PROTEIN
(N-ETHYLMALEIMIDE
SENSITIVE FUSION
PROTEIN (NSF))
(Cricetulus
griseus) 		5 / 9 VAL A  24
VAL A  23
VAL A  37
GLY A  32
SER A  31
 None
BME  A 400 (-4.3A)
None
None
None
 1.17A 4fwdA-1qdnA:
undetectable		 4fwdA-1qdnA:
13.41
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.
4FWD_A_BO2A801_1
(TTC1975 PEPTIDASE)		 1qdn PROTEIN
(N-ETHYLMALEIMIDE
SENSITIVE FUSION
PROTEIN (NSF))
(Cricetulus
griseus) 		5 / 9 VAL A  24
VAL A  23
VAL A  80
GLY A  32
SER A  31
 None
BME  A 400 (-4.3A)
None
None
None
 1.24A 4fwdA-1qdnA:
undetectable		 4fwdA-1qdnA:
13.41
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.
4G0U_F_ASWF101_1
(DNA TOPOISOMERASE
2-BETA)		 1btc BETA-AMYLASE
(Glycine
max) 		4 / 6 GLY A 298
ALA A 184
GLU A 186
GLN A 351
 BME  A 504 ( 4.3A)
BME  A 502 ( 3.9A)
None
GLC  A 499 ( 3.6A)
 1.09A 4g0uA-1btcA:
undetectable		 4g0uA-1btcA:
21.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 2qob EPHRIN RECEPTOR
(Homo
sapiens) 		6 / 12 VAL A 635
ALA A 651
THR A 699
MET A 702
GLY A 705
LEU A 753
 BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
None
PTR  A 701 ( 3.5A)
None
None
 0.44A 4hjoA-2qobA:
30.1		 4hjoA-2qobA:
33.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4I89_A_1FLA201_1
(TRANSTHYRETIN)		 1e6b GLUTATHIONE
S-TRANSFERASE
(Arabidopsis
thaliana) 		4 / 6 LEU A 147
ALA A 159
LEU A 150
THR A 160
 None
None
None
BME  A 389 ( 4.9A)
 1.02A 4i89A-1e6bA:
undetectable		 4i89A-1e6bA:
19.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IJI_H_BEZH501_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN YIBF)		 5z0c NEROL DEHYDROGENASE
(Persicaria
minor) 		4 / 7 ALA A 324
SER A 161
VAL A 351
ARG A 349
 None
None
None
BME  A 405 (-3.0A)
 1.13A 4ijiH-5z0cA:
undetectable		 4ijiH-5z0cA:
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.
4IR0_B_FCNB202_1
(METALLOTHIOL
TRANSFERASE FOSB 2)		 1zsw GLYOXALASE FAMILY
PROTEIN
(Bacillus
cereus) 		5 / 11 HIS A   9
HIS A 222
ARG A 253
TYR A 260
GLU A 270
 ZN  A 315 ( 3.3A)
ZN  A 315 ( 3.3A)
BME  A 316 (-4.5A)
None
ZN  A 315 ( 2.5A)
 1.47A 4ir0A-1zswA:
10.9
4ir0B-1zswA:
11.4		 4ir0A-1zswA:
20.00
4ir0B-1zswA:
20.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IV0_A_SAMA302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 4iv8 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE
(Plasmodium
knowlesi) 		8 / 12 GLY A  61
GLY A  63
ILE A  84
CYH A  85
ILE A 109
ARG A 125
HIS A 130
LEU A 131
 SAM  A 301 (-3.5A)
SAM  A 301 ( 3.9A)
SAM  A 301 (-3.8A)
BME  A 302 (-1.9A)
SAM  A 301 (-4.1A)
None
SAM  A 301 (-3.9A)
None
 0.33A 4iv0A-4iv8A:
36.7		 4iv0A-4iv8A:
88.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IV0_A_SAMA302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE
(Plasmodium
vivax) 		6 / 12 TYR A  16
GLY A  62
CYH A  84
ILE A  59
HIS A 129
LEU A 130
 SAM  A 301 ( 4.3A)
SAM  A 301 ( 3.8A)
BME  A 303 (-1.9A)
None
SAM  A 301 (-3.9A)
None
 1.17A 4iv0A-4mwzA:
43.0		 4iv0A-4mwzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IV0_A_SAMA302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE
(Plasmodium
vivax) 		11 / 12 TYR A  16
ILE A  33
GLY A  60
GLY A  62
ILE A  83
CYH A  84
ILE A 108
ARG A 124
SER A 126
HIS A 129
LEU A 130
 SAM  A 301 ( 4.3A)
SAM  A 301 (-4.3A)
SAM  A 301 (-3.7A)
SAM  A 301 ( 3.8A)
SAM  A 301 (-3.7A)
BME  A 303 (-1.9A)
SAM  A 301 (-4.0A)
None
SAM  A 301 (-3.2A)
SAM  A 301 (-3.9A)
None
 0.20A 4iv0A-4mwzA:
43.0		 4iv0A-4mwzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IV0_B_SAMB302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 4iv8 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE
(Plasmodium
knowlesi) 		9 / 12 GLY A  61
GLY A  63
ILE A  84
CYH A  85
MET A  88
ASP A 108
ILE A 109
ARG A 125
HIS A 130
 SAM  A 301 (-3.5A)
SAM  A 301 ( 3.9A)
SAM  A 301 (-3.8A)
BME  A 302 (-1.9A)
SAM  A 301 (-3.3A)
SAM  A 301 (-3.5A)
SAM  A 301 (-4.1A)
None
SAM  A 301 (-3.9A)
 0.32A 4iv0B-4iv8A:
36.7		 4iv0B-4iv8A:
88.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IV0_B_SAMB302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 4iv8 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE
(Plasmodium
knowlesi) 		5 / 12 GLY A  63
CYH A  85
MET A  88
ILE A  60
HIS A 130
 SAM  A 301 ( 3.9A)
BME  A 302 (-1.9A)
SAM  A 301 (-3.3A)
None
SAM  A 301 (-3.9A)
 1.08A 4iv0B-4iv8A:
36.7		 4iv0B-4iv8A:
88.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IV0_B_SAMB302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE
(Plasmodium
vivax) 		6 / 12 TYR A  16
GLY A  62
CYH A  84
MET A  87
ILE A  59
HIS A 129
 SAM  A 301 ( 4.3A)
SAM  A 301 ( 3.8A)
BME  A 303 (-1.9A)
SAM  A 301 (-3.0A)
None
SAM  A 301 (-3.9A)
 0.96A 4iv0B-4mwzA:
44.1		 4iv0B-4mwzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IV0_B_SAMB302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE
(Plasmodium
vivax) 		12 / 12 TYR A  16
ILE A  33
GLY A  60
GLY A  62
ILE A  83
CYH A  84
MET A  87
ASP A 107
ILE A 108
ARG A 124
SER A 126
HIS A 129
 SAM  A 301 ( 4.3A)
SAM  A 301 (-4.3A)
SAM  A 301 (-3.7A)
SAM  A 301 ( 3.8A)
SAM  A 301 (-3.7A)
BME  A 303 (-1.9A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.5A)
SAM  A 301 (-4.0A)
None
SAM  A 301 (-3.2A)
SAM  A 301 (-3.9A)
 0.07A 4iv0B-4mwzA:
44.1		 4iv0B-4mwzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IV8_A_SAMA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 4iv8 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE
(Plasmodium
knowlesi) 		12 / 12 GLY A  61
GLY A  63
ASP A  83
ILE A  84
CYH A  85
MET A  88
ASP A 108
ILE A 109
ARG A 125
ALA A 127
HIS A 130
LEU A 131
 SAM  A 301 (-3.5A)
SAM  A 301 ( 3.9A)
SAM  A 301 (-2.7A)
SAM  A 301 (-3.8A)
BME  A 302 (-1.9A)
SAM  A 301 (-3.3A)
SAM  A 301 (-3.5A)
SAM  A 301 (-4.1A)
None
SAM  A 301 (-3.4A)
SAM  A 301 (-3.9A)
None
 0.02A 4iv8A-4iv8A:
44.0		 4iv8A-4iv8A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IV8_A_SAMA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 4iv8 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE
(Plasmodium
knowlesi) 		7 / 12 GLY A  63
ASP A  83
CYH A  85
MET A  88
ILE A  60
HIS A 130
LEU A 131
 SAM  A 301 ( 3.9A)
SAM  A 301 (-2.7A)
BME  A 302 (-1.9A)
SAM  A 301 (-3.3A)
None
SAM  A 301 (-3.9A)
None
 1.16A 4iv8A-4iv8A:
44.0		 4iv8A-4iv8A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IV8_A_SAMA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE
(Plasmodium
vivax) 		11 / 12 GLY A  60
GLY A  62
ASP A  82
ILE A  83
CYH A  84
MET A  87
ASP A 107
ILE A 108
ARG A 124
HIS A 129
LEU A 130
 SAM  A 301 (-3.7A)
SAM  A 301 ( 3.8A)
SAM  A 301 (-2.8A)
SAM  A 301 (-3.7A)
BME  A 303 (-1.9A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.5A)
SAM  A 301 (-4.0A)
None
SAM  A 301 (-3.9A)
None
 0.32A 4iv8A-4mwzA:
36.4		 4iv8A-4mwzA:
87.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IV8_A_SAMA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE
(Plasmodium
vivax) 		7 / 12 GLY A  62
ASP A  82
CYH A  84
MET A  87
ILE A  59
HIS A 129
LEU A 130
 SAM  A 301 ( 3.8A)
SAM  A 301 (-2.8A)
BME  A 303 (-1.9A)
SAM  A 301 (-3.0A)
None
SAM  A 301 (-3.9A)
None
 1.14A 4iv8A-4mwzA:
36.4		 4iv8A-4mwzA:
87.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IV8_B_SAMB301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 4iv8 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE
(Plasmodium
knowlesi) 		6 / 12 GLY A  61
GLY A  63
ASP A  83
CYH A  85
MET A  88
LEU A 129
 SAM  A 301 (-3.5A)
SAM  A 301 ( 3.9A)
SAM  A 301 (-2.7A)
BME  A 302 (-1.9A)
SAM  A 301 (-3.3A)
None
 1.47A 4iv8B-4iv8A:
42.5		 4iv8B-4iv8A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IV8_B_SAMB301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 4iv8 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE
(Plasmodium
knowlesi) 		12 / 12 GLY A  61
GLY A  63
ASP A  83
ILE A  84
CYH A  85
MET A  88
ASP A 108
ILE A 109
ARG A 125
ALA A 127
HIS A 130
LEU A 131
 SAM  A 301 (-3.5A)
SAM  A 301 ( 3.9A)
SAM  A 301 (-2.7A)
SAM  A 301 (-3.8A)
BME  A 302 (-1.9A)
SAM  A 301 (-3.3A)
SAM  A 301 (-3.5A)
SAM  A 301 (-4.1A)
None
SAM  A 301 (-3.4A)
SAM  A 301 (-3.9A)
None
 0.09A 4iv8B-4iv8A:
42.5		 4iv8B-4iv8A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IV8_B_SAMB301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 4iv8 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE
(Plasmodium
knowlesi) 		8 / 12 GLY A  63
ASP A  83
CYH A  85
MET A  88
ILE A  60
ALA A 127
HIS A 130
LEU A 131
 SAM  A 301 ( 3.9A)
SAM  A 301 (-2.7A)
BME  A 302 (-1.9A)
SAM  A 301 (-3.3A)
None
SAM  A 301 (-3.4A)
SAM  A 301 (-3.9A)
None
 1.17A 4iv8B-4iv8A:
42.5		 4iv8B-4iv8A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IV8_B_SAMB301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE
(Plasmodium
vivax) 		7 / 12 GLY A  60
GLY A  62
ASP A  82
CYH A  84
MET A  87
ARG A 124
LEU A 138
 SAM  A 301 (-3.7A)
SAM  A 301 ( 3.8A)
SAM  A 301 (-2.8A)
BME  A 303 (-1.9A)
SAM  A 301 (-3.0A)
None
None
 1.00A 4iv8B-4mwzA:
36.4		 4iv8B-4mwzA:
87.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IV8_B_SAMB301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE
(Plasmodium
vivax) 		11 / 12 GLY A  60
GLY A  62
ASP A  82
ILE A  83
CYH A  84
MET A  87
ASP A 107
ILE A 108
ARG A 124
HIS A 129
LEU A 130
 SAM  A 301 (-3.7A)
SAM  A 301 ( 3.8A)
SAM  A 301 (-2.8A)
SAM  A 301 (-3.7A)
BME  A 303 (-1.9A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.5A)
SAM  A 301 (-4.0A)
None
SAM  A 301 (-3.9A)
None
 0.35A 4iv8B-4mwzA:
36.4		 4iv8B-4mwzA:
87.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IV8_B_SAMB301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE
(Plasmodium
vivax) 		7 / 12 GLY A  62
ASP A  82
CYH A  84
MET A  87
ILE A  59
HIS A 129
LEU A 130
 SAM  A 301 ( 3.8A)
SAM  A 301 (-2.8A)
BME  A 303 (-1.9A)
SAM  A 301 (-3.0A)
None
SAM  A 301 (-3.9A)
None
 1.17A 4iv8B-4mwzA:
36.4		 4iv8B-4mwzA:
87.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IV8_B_SAMB301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE
(Plasmodium
vivax) 		6 / 12 GLY A  62
ASP A  82
ILE A  83
CYH A  84
MET A  87
LEU A 109
 SAM  A 301 ( 3.8A)
SAM  A 301 (-2.8A)
SAM  A 301 (-3.7A)
BME  A 303 (-1.9A)
SAM  A 301 (-3.0A)
None
 1.28A 4iv8B-4mwzA:
36.4		 4iv8B-4mwzA:
87.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JH3_A_FCNA204_1
(METALLOTHIOL
TRANSFERASE FOSB)		 1zsw GLYOXALASE FAMILY
PROTEIN
(Bacillus
cereus) 		5 / 12 HIS A 222
ARG A 253
TYR A 260
GLU A 270
HIS A   9
 ZN  A 315 ( 3.3A)
BME  A 316 (-4.5A)
None
ZN  A 315 ( 2.5A)
ZN  A 315 ( 3.3A)
 1.48A 4jh3A-1zswA:
11.0
4jh3B-1zswA:
7.6		 4jh3A-1zswA:
17.99
4jh3B-1zswA:
17.99
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.
4JH3_B_FCNB203_1
(METALLOTHIOL
TRANSFERASE FOSB)		 1zsw GLYOXALASE FAMILY
PROTEIN
(Bacillus
cereus) 		5 / 11 HIS A   9
HIS A 222
ARG A 253
TYR A 260
GLU A 270
 ZN  A 315 ( 3.3A)
ZN  A 315 ( 3.3A)
BME  A 316 (-4.5A)
None
ZN  A 315 ( 2.5A)
 1.47A 4jh3A-1zswA:
11.0
4jh3B-1zswA:
11.1		 4jh3A-1zswA:
17.99
4jh3B-1zswA:
17.99
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.
4JH4_A_FCNA202_1
(METALLOTHIOL
TRANSFERASE FOSB)		 1zsw GLYOXALASE FAMILY
PROTEIN
(Bacillus
cereus) 		5 / 11 HIS A 222
ARG A 253
TYR A 260
GLU A 270
HIS A   9
 ZN  A 315 ( 3.3A)
BME  A 316 (-4.5A)
None
ZN  A 315 ( 2.5A)
ZN  A 315 ( 3.3A)
 1.50A 4jh4A-1zswA:
7.7
4jh4B-1zswA:
11.0		 4jh4A-1zswA:
17.99
4jh4B-1zswA:
17.99
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.
4JH4_B_FCNB202_1
(METALLOTHIOL
TRANSFERASE FOSB)		 1zsw GLYOXALASE FAMILY
PROTEIN
(Bacillus
cereus) 		5 / 11 HIS A   9
HIS A 222
ARG A 253
TYR A 260
GLU A 270
 ZN  A 315 ( 3.3A)
ZN  A 315 ( 3.3A)
BME  A 316 (-4.5A)
None
ZN  A 315 ( 2.5A)
 1.49A 4jh4A-1zswA:
7.7
4jh4B-1zswA:
11.0		 4jh4A-1zswA:
17.99
4jh4B-1zswA:
17.99
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.
4JH5_A_FCNA202_1
(METALLOTHIOL
TRANSFERASE FOSB)		 1zsw GLYOXALASE FAMILY
PROTEIN
(Bacillus
cereus) 		5 / 11 HIS A 222
ARG A 253
TYR A 260
GLU A 270
HIS A   9
 ZN  A 315 ( 3.3A)
BME  A 316 (-4.5A)
None
ZN  A 315 ( 2.5A)
ZN  A 315 ( 3.3A)
 1.47A 4jh5A-1zswA:
7.7
4jh5B-1zswA:
10.9		 4jh5A-1zswA:
17.99
4jh5B-1zswA:
17.99
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.
4JH5_B_FCNB203_1
(METALLOTHIOL
TRANSFERASE FOSB)		 1zsw GLYOXALASE FAMILY
PROTEIN
(Bacillus
cereus) 		5 / 11 HIS A   9
HIS A 222
ARG A 253
TYR A 260
GLU A 270
 ZN  A 315 ( 3.3A)
ZN  A 315 ( 3.3A)
BME  A 316 (-4.5A)
None
ZN  A 315 ( 2.5A)
 1.48A 4jh5A-1zswA:
7.7
4jh5B-1zswA:
10.9		 4jh5A-1zswA:
17.99
4jh5B-1zswA:
17.99
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.
4JH6_A_FCNA202_1
(METALLOTHIOL
TRANSFERASE FOSB)		 1zsw GLYOXALASE FAMILY
PROTEIN
(Bacillus
cereus) 		5 / 10 HIS A 222
ARG A 253
TYR A 260
GLU A 270
HIS A   9
 ZN  A 315 ( 3.3A)
BME  A 316 (-4.5A)
None
ZN  A 315 ( 2.5A)
ZN  A 315 ( 3.3A)
 1.47A 4jh6A-1zswA:
11.1
4jh6B-1zswA:
11.0		 4jh6A-1zswA:
17.99
4jh6B-1zswA:
17.99
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.
4JH6_B_FCNB202_1
(METALLOTHIOL
TRANSFERASE FOSB)		 1zsw GLYOXALASE FAMILY
PROTEIN
(Bacillus
cereus) 		5 / 10 HIS A   9
HIS A 222
ARG A 253
TYR A 260
GLU A 270
 ZN  A 315 ( 3.3A)
ZN  A 315 ( 3.3A)
BME  A 316 (-4.5A)
None
ZN  A 315 ( 2.5A)
 1.48A 4jh6A-1zswA:
11.1
4jh6B-1zswA:
11.0		 4jh6A-1zswA:
17.99
4jh6B-1zswA:
17.99
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.
4JH8_A_FCNA204_1
(METALLOTHIOL
TRANSFERASE FOSB)		 1zsw GLYOXALASE FAMILY
PROTEIN
(Bacillus
cereus) 		5 / 10 HIS A 222
ARG A 253
TYR A 260
GLU A 270
HIS A   9
 ZN  A 315 ( 3.3A)
BME  A 316 (-4.5A)
None
ZN  A 315 ( 2.5A)
ZN  A 315 ( 3.3A)
 1.48A 4jh8A-1zswA:
7.6
4jh8B-1zswA:
10.9		 4jh8A-1zswA:
17.99
4jh8B-1zswA:
17.99
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.
4JH8_B_FCNB203_1
(METALLOTHIOL
TRANSFERASE FOSB)		 1zsw GLYOXALASE FAMILY
PROTEIN
(Bacillus
cereus) 		5 / 10 HIS A   9
HIS A 222
ARG A 253
TYR A 260
GLU A 270
 ZN  A 315 ( 3.3A)
ZN  A 315 ( 3.3A)
BME  A 316 (-4.5A)
None
ZN  A 315 ( 2.5A)
 1.47A 4jh8A-1zswA:
7.6
4jh8B-1zswA:
10.9		 4jh8A-1zswA:
17.99
4jh8B-1zswA:
17.99
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.
4KJJ_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 2au1 IGG-DEGRADING
PROTEASE
(Streptococcus
pyogenes) 		4 / 4 ASP A  90
LEU A  93
ARG A 259
THR A  85
 None
None
BME  A 400 (-3.6A)
None
 1.43A 4kjjA-2au1A:
undetectable		 4kjjA-2au1A:
17.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KJK_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 2au1 IGG-DEGRADING
PROTEASE
(Streptococcus
pyogenes) 		4 / 4 ASP A  90
LEU A  93
ARG A 259
THR A  85
 None
None
BME  A 400 (-3.6A)
None
 1.35A 4kjkA-2au1A:
undetectable		 4kjkA-2au1A:
17.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KUK_A_RBFA201_2
(BLUE-LIGHT
PHOTORECEPTOR)		 3onp TRNA/RRNA
METHYLTRANSFERASE
(SPOU)
(Rhodobacter
sphaeroides) 		5 / 9 VAL A  36
ILE A  35
ARG A  34
LEU A  33
GLY A  19
 None
None
BME  A 254 (-3.3A)
None
None
 0.92A 4kukA-3onpA:
undetectable		 4kukA-3onpA:
19.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M2R_A_BZ1A302_1
(CARBONIC ANHYDRASE 2)		 1kop CARBONIC ANHYDRASE
(Neisseria
gonorrhoeae) 		11 / 12 ASN A  64
GLN A  90
HIS A  92
HIS A  94
VAL A 113
VAL A 123
LEU A 176
THR A 177
THR A 178
PRO A 180
TRP A 187
 BME  A 303 (-4.7A)
None
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.3A)
None
None
AZI  A 305 (-4.2A)
AZI  A 305 (-3.4A)
AZI  A 305 ( 4.2A)
None
None
 0.43A 4m2rA-1kopA:
29.8		 4m2rA-1kopA:
33.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M2U_A_ETSA302_1
(CARBONIC ANHYDRASE 2)		 1kop CARBONIC ANHYDRASE
(Neisseria
gonorrhoeae) 		11 / 12 TRP A   7
HIS A  66
GLN A  90
HIS A  92
HIS A  94
VAL A 113
VAL A 123
LEU A 176
THR A 177
THR A 178
TRP A 187
 None
BME  A 303 (-3.6A)
None
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.3A)
None
None
AZI  A 305 (-4.2A)
AZI  A 305 (-3.4A)
AZI  A 305 ( 4.2A)
None
 0.33A 4m2uA-1kopA:
29.8		 4m2uA-1kopA:
33.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M2U_A_ETSA302_1
(CARBONIC ANHYDRASE 2)		 1kop CARBONIC ANHYDRASE
(Neisseria
gonorrhoeae) 		7 / 12 TRP A   7
HIS A  66
HIS A  92
LEU A 176
THR A 177
THR A 178
TRP A 187
 None
BME  A 303 (-3.6A)
ZN  A 301 ( 3.2A)
AZI  A 305 (-4.2A)
AZI  A 305 (-3.4A)
AZI  A 305 ( 4.2A)
None
 1.41A 4m2uA-1kopA:
29.8		 4m2uA-1kopA:
33.96
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.
4M83_B_ERYB501_0
(OLEANDOMYCIN
GLYCOSYLTRANSFERASE)		 2j5c 1,8-CINEOLE SYNTHASE
(Salvia
fruticosa) 		5 / 11 HIS A 454
TRP A 367
ASN A 388
ILE A 337
ALA A 339
 None
None
None
None
BME  A1593 ( 4.8A)
 1.47A 4m83B-2j5cA:
undetectable		 4m83B-2j5cA:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MBS_A_MRVA1101_2
(CHIMERA PROTEIN OF
C-C CHEMOKINE
RECEPTOR TYPE 5 AND
RUBREDOXIN)		 2w3p BENZOYL-COA-DIHYDROD
IOL LYASE
(Paraburkholderia
xenovorans) 		4 / 7 GLN A 524
THR A 178
THR A 114
THR A 511
 BME  A 601 (-4.4A)
BME  A 601 (-4.1A)
None
None
 1.07A 4mbsA-2w3pA:
undetectable		 4mbsA-2w3pA:
21.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MKC_A_4MKA1503_1
(ALK TYROSINE KINASE
RECEPTOR)		 2qob EPHRIN RECEPTOR
(Homo
sapiens) 		7 / 12 VAL A 635
ALA A 651
LYS A 653
GLY A 705
SER A 709
LEU A 753
ASP A 764
 BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
None
None
None
None
None
 0.68A 4mkcA-2qobA:
34.2		 4mkcA-2qobA:
33.16
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.
4MWX_A_ZMRA513_2
(NEURAMINIDASE)		 3t63 PROTOCATECHUATE
3,4-DIOXYGENASE BETA
CHAIN
(Pseudomonas
putida) 		3 / 3 ARG M 457
TRP M 449
ILE M 491
 BME  M   1 (-3.9A)
BME  M 542 (-4.4A)
None
 0.76A 4mwxA-3t63M:
undetectable		 4mwxA-3t63M:
21.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MWZ_A_SAMA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 4iv8 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE
(Plasmodium
knowlesi) 		9 / 12 GLY A  61
GLY A  63
ILE A  84
CYH A  85
MET A  88
ILE A 109
ARG A 125
HIS A 130
LEU A 131
 SAM  A 301 (-3.5A)
SAM  A 301 ( 3.9A)
SAM  A 301 (-3.8A)
BME  A 302 (-1.9A)
SAM  A 301 (-3.3A)
SAM  A 301 (-4.1A)
None
SAM  A 301 (-3.9A)
None
 0.34A 4mwzA-4iv8A:
36.4		 4mwzA-4iv8A:
87.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MWZ_A_SAMA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 4iv8 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE
(Plasmodium
knowlesi) 		6 / 12 GLY A  63
CYH A  85
MET A  88
ILE A  60
HIS A 130
LEU A 131
 SAM  A 301 ( 3.9A)
BME  A 302 (-1.9A)
SAM  A 301 (-3.3A)
None
SAM  A 301 (-3.9A)
None
 1.27A 4mwzA-4iv8A:
36.4		 4mwzA-4iv8A:
87.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MWZ_A_SAMA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE
(Plasmodium
vivax) 		7 / 12 TYR A  16
GLY A  62
CYH A  84
MET A  87
ILE A  59
HIS A 129
LEU A 130
 SAM  A 301 ( 4.3A)
SAM  A 301 ( 3.8A)
BME  A 303 (-1.9A)
SAM  A 301 (-3.0A)
None
SAM  A 301 (-3.9A)
None
 1.16A 4mwzA-4mwzA:
47.3		 4mwzA-4mwzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MWZ_A_SAMA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE
(Plasmodium
vivax) 		12 / 12 TYR A  16
ILE A  33
GLY A  60
GLY A  62
ILE A  83
CYH A  84
MET A  87
ILE A 108
ARG A 124
SER A 126
HIS A 129
LEU A 130
 SAM  A 301 ( 4.3A)
SAM  A 301 (-4.3A)
SAM  A 301 (-3.7A)
SAM  A 301 ( 3.8A)
SAM  A 301 (-3.7A)
BME  A 303 (-1.9A)
SAM  A 301 (-3.0A)
SAM  A 301 (-4.0A)
None
SAM  A 301 (-3.2A)
SAM  A 301 (-3.9A)
None
 0.02A 4mwzA-4mwzA:
47.3		 4mwzA-4mwzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MWZ_B_SAMB301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 4iv8 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE
(Plasmodium
knowlesi) 		8 / 12 GLY A  61
GLY A  63
ILE A  84
CYH A  85
ILE A 109
ARG A 125
HIS A 130
LEU A 131
 SAM  A 301 (-3.5A)
SAM  A 301 ( 3.9A)
SAM  A 301 (-3.8A)
BME  A 302 (-1.9A)
SAM  A 301 (-4.1A)
None
SAM  A 301 (-3.9A)
None
 0.36A 4mwzB-4iv8A:
36.5		 4mwzB-4iv8A:
87.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MWZ_B_SAMB301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE
(Plasmodium
vivax) 		6 / 12 TYR A  16
GLY A  62
CYH A  84
ILE A  59
HIS A 129
LEU A 130
 SAM  A 301 ( 4.3A)
SAM  A 301 ( 3.8A)
BME  A 303 (-1.9A)
None
SAM  A 301 (-3.9A)
None
 1.16A 4mwzB-4mwzA:
42.9		 4mwzB-4mwzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MWZ_B_SAMB301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE
(Plasmodium
vivax) 		11 / 12 TYR A  16
ILE A  33
GLY A  60
GLY A  62
ILE A  83
CYH A  84
ILE A 108
ARG A 124
SER A 126
HIS A 129
LEU A 130
 SAM  A 301 ( 4.3A)
SAM  A 301 (-4.3A)
SAM  A 301 (-3.7A)
SAM  A 301 ( 3.8A)
SAM  A 301 (-3.7A)
BME  A 303 (-1.9A)
SAM  A 301 (-4.0A)
None
SAM  A 301 (-3.2A)
SAM  A 301 (-3.9A)
None
 0.24A 4mwzB-4mwzA:
42.9		 4mwzB-4mwzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MXO_A_DB8A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 2qob EPHRIN RECEPTOR
(Homo
sapiens) 		7 / 12 VAL A 635
ALA A 651
GLU A 670
MET A 674
ILE A 697
THR A 699
GLY A 705
 BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
None
None
None
None
None
 0.68A 4mxoA-2qobA:
28.1		 4mxoA-2qobA:
39.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MXX_B_DB8B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 2qob EPHRIN RECEPTOR
(Homo
sapiens) 		7 / 12 VAL A 635
ALA A 651
LYS A 653
THR A 699
MET A 702
GLY A 705
LEU A 753
 BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
None
None
PTR  A 701 ( 3.5A)
None
None
 0.61A 4mxxB-2qobA:
26.3		 4mxxB-2qobA:
39.26
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.
4OQR_A_2UOA502_1
(CYP105AS1)		 3mjf PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE
(Yersinia
pestis) 		5 / 9 PRO A 355
VAL A 387
VAL A 377
THR A 379
VAL A 413
 None
None
None
None
BME  A 507 ( 4.5A)
 1.29A 4oqrA-3mjfA:
undetectable		 4oqrA-3mjfA:
23.97
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.
4P3Q_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 2au1 IGG-DEGRADING
PROTEASE
(Streptococcus
pyogenes) 		4 / 5 ASP A  90
LEU A  93
ARG A 259
THR A  85
 None
None
BME  A 400 (-3.6A)
None
 1.41A 4p3qA-2au1A:
undetectable		 4p3qA-2au1A:
17.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QCK_A_ASDA404_1
(3-KETOSTEROID-9-ALPH
A-MONOOXYGENASE
OXYGENASE SUBUNIT)		 1e4a L-FUCULOSE
1-PHOSPHATE ALDOLASE
(Escherichia
coli) 		5 / 12 ASN P  29
VAL P  30
MET P  17
ASN P  23
GLY P 156
 SO4  P 301 (-3.8A)
BME  P 303 ( 4.8A)
None
BME  P 303 ( 4.4A)
None
 1.04A 4qckA-1e4aP:
0.0		 4qckA-1e4aP:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R7I_A_STIA1001_1
(MACROPHAGE
COLONY-STIMULATING
FACTOR 1 RECEPTOR)		 2qob EPHRIN RECEPTOR
(Homo
sapiens) 		7 / 12 VAL A 635
ALA A 651
LYS A 653
GLU A 670
MET A 674
THR A 699
ASP A 764
 BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
None
None
None
None
None
 1.02A 4r7iA-2qobA:
31.7		 4r7iA-2qobA:
29.92
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.
4R7L_A_SHHA709_1
(LEUKOTRIENE A-4
HYDROLASE)		 2p0n HYPOTHETICAL PROTEIN
NMB1532
(Neisseria
meningitidis) 		5 / 12 ALA A  62
HIS A 136
GLU A 140
HIS A  96
TYR A 133
 BME  A 601 (-3.3A)
MN  A 605 ( 3.4A)
MN  A 605 (-2.4A)
MN  A 605 (-3.4A)
None
 1.46A 4r7lA-2p0nA:
undetectable		 4r7lA-2p0nA:
13.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RUJ_A_VDXA501_1
(VITAMIN D3 RECEPTOR
A)		 1k2f SIAH-1A PROTEIN
(Mus
musculus) 		5 / 12 ILE A 155
SER A 183
VAL A 144
HIS A 147
HIS A 152
 BME  A 550 (-4.9A)
None
None
ZN  A 601 (-3.0A)
ZN  A 601 (-3.2A)
 1.35A 4rujA-1k2fA:
undetectable		 4rujA-1k2fA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_B_032B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 2qob EPHRIN RECEPTOR
(Homo
sapiens) 		5 / 12 VAL A 635
ALA A 651
LYS A 653
THR A 699
SER A 706
 BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
None
None
None
 0.73A 4rzvB-2qobA:
25.9		 4rzvB-2qobA:
27.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4U5J_B_RXTB601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 2qob EPHRIN RECEPTOR
(Homo
sapiens) 		6 / 9 VAL A 635
ALA A 651
MET A 702
GLY A 705
LEU A 753
ASP A 764
 BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
PTR  A 701 ( 3.5A)
None
None
None
 0.36A 4u5jB-2qobA:
28.1		 4u5jB-2qobA:
39.54
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.
4W5O_A_IPHA904_0
(PROTEIN ARGONAUTE-2)		 1geg ACETOIN REDUCTASE
(Klebsiella
pneumoniae) 		4 / 7 ILE A 184
GLN A 140
PRO A 182
ILE A 249
 None
BME  A1462 (-3.9A)
NAD  A2001 ( 3.7A)
None
 1.08A 4w5oA-1gegA:
3.6		 4w5oA-1gegA:
13.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4WA9_B_AXIB9000_1
(TYROSINE-PROTEIN
KINASE ABL1)		 2qob EPHRIN RECEPTOR
(Homo
sapiens) 		7 / 12 VAL A 635
ALA A 651
THR A 699
MET A 702
GLY A 705
ASN A 751
LEU A 753
 BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
None
PTR  A 701 ( 3.5A)
None
None
None
 0.77A 4wa9B-2qobA:
32.1		 4wa9B-2qobA:
34.49
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.
4WCX_C_SAMC503_0
(BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED)		 2w3p BENZOYL-COA-DIHYDROD
IOL LYASE
(Paraburkholderia
xenovorans) 		5 / 12 TYR A  48
GLY A  47
LEU A 540
LEU A 172
ALA A  94
 None
None
None
None
BME  A 601 ( 4.5A)
 1.25A 4wcxC-2w3pA:
undetectable		 4wcxC-2w3pA:
22.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WOZ_F_MN9F401_0
(N-ACETYLNEURAMINATE
LYASE)		 5dx9 TREHALOSE-6-PHOSPHAT
E PHOSPHATASE
(Cryptococcus
neoformans) 		4 / 5 LEU A 157
ASP A 158
TYR A 141
LEU A 179
 BME  A 403 ( 3.5A)
None
BME  A 403 (-3.4A)
BME  A 403 ( 4.3A)
 1.27A 4wozF-5dx9A:
undetectable
4wozH-5dx9A:
undetectable		 4wozF-5dx9A:
22.83
4wozH-5dx9A:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X20_B_LOCB502_1
(TUBULIN BETA CHAIN)		 1e4a L-FUCULOSE
1-PHOSPHATE ALDOLASE
(Escherichia
coli) 		5 / 12 CYH P  14
LEU P  15
LEU P  50
VAL P  30
ILE P  55
 BME  P 303 (-2.0A)
None
None
BME  P 303 ( 4.8A)
None
 0.99A 4x20B-1e4aP:
undetectable		 4x20B-1e4aP:
16.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XE3_B_CL6B502_1
(CYTOCHROME P-450)		 1hvy THYMIDYLATE SYNTHASE
(Homo
sapiens) 		4 / 5 ALA A 238
THR A 241
VAL A 164
ILE A 165
 None
None
BME  A1514 (-4.3A)
None
 0.91A 4xe3B-1hvyA:
0.0		 4xe3B-1hvyA:
22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Y8W_B_STRB603_1
(CYTOCHROME P450
21-HYDROXYLASE)		 2ga8 HYPOTHETICAL 39.9
KDA PROTEIN
(Saccharomyces
cerevisiae) 		5 / 12 VAL A  30
ASP A 336
ILE A 337
GLY A 334
VAL A 306
 None
None
None
None
BME  A 501 ( 4.3A)
 1.12A 4y8wB-2ga8A:
undetectable		 4y8wB-2ga8A:
22.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z4E_A_IPHA904_0
(PROTEIN ARGONAUTE-2)		 1geg ACETOIN REDUCTASE
(Klebsiella
pneumoniae) 		4 / 7 ILE A 184
GLN A 140
PRO A 182
ILE A 249
 None
BME  A1462 (-3.9A)
NAD  A2001 ( 3.7A)
None
 1.04A 4z4eA-1gegA:
undetectable		 4z4eA-1gegA:
13.85
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.
4Z4G_A_IPHA902_0
(PROTEIN ARGONAUTE-2)		 1geg ACETOIN REDUCTASE
(Klebsiella
pneumoniae) 		4 / 7 ILE A 184
GLN A 140
PRO A 182
ILE A 249
 None
BME  A1462 (-3.9A)
NAD  A2001 ( 3.7A)
None
 1.06A 4z4gA-1gegA:
3.4		 4z4gA-1gegA:
13.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5AAA_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 2qob EPHRIN RECEPTOR
(Homo
sapiens) 		6 / 9 VAL A 635
ALA A 651
MET A 702
GLY A 705
LEU A 753
ASP A 764
 BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
PTR  A 701 ( 3.5A)
None
None
None
 0.49A 5aaaA-2qobA:
34.5		 5aaaA-2qobA:
33.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5AAB_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 2qob EPHRIN RECEPTOR
(Homo
sapiens) 		7 / 10 VAL A 635
ALA A 651
LYS A 653
MET A 702
GLY A 705
LEU A 753
ASP A 764
 BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
None
PTR  A 701 ( 3.5A)
None
None
None
 0.88A 5aabA-2qobA:
34.2		 5aabA-2qobA:
33.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5AAC_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 2qob EPHRIN RECEPTOR
(Homo
sapiens) 		7 / 10 VAL A 635
ALA A 651
LYS A 653
MET A 702
GLY A 705
LEU A 753
ASP A 764
 BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
None
PTR  A 701 ( 3.5A)
None
None
None
 0.90A 5aacA-2qobA:
34.0		 5aacA-2qobA:
33.87
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.
5BOJ_A_4TXA201_1
(TRANSTHYRETIN)		 1e6b GLUTATHIONE
S-TRANSFERASE
(Arabidopsis
thaliana) 		4 / 6 LEU A 147
ALA A 159
LEU A 150
THR A 160
 None
None
None
BME  A 389 ( 4.9A)
 1.03A 5bojA-1e6bA:
undetectable		 5bojA-1e6bA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5F1A_A_SALA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 2j89 METHIONINE SULFOXIDE
REDUCTASE A
(Populus
trichocarpa) 		4 / 8 LEU A 180
TYR A 179
TRP A  48
GLY A 204
 None
None
BME  A 207 ( 4.2A)
None
 0.76A 5f1aA-2j89A:
undetectable		 5f1aA-2j89A:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5F1A_B_SALB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 2j89 METHIONINE SULFOXIDE
REDUCTASE A
(Populus
trichocarpa) 		4 / 7 LEU A 180
TYR A 179
TRP A  48
GLY A 204
 None
None
BME  A 207 ( 4.2A)
None
 0.72A 5f1aB-2j89A:
undetectable		 5f1aB-2j89A:
20.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5H2U_B_1N1B501_1
(PROTEIN-TYROSINE
KINASE 6)		 2qob EPHRIN RECEPTOR
(Homo
sapiens) 		6 / 12 VAL A 635
ALA A 651
ILE A 697
THR A 699
GLY A 705
LEU A 753
 BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
None
None
None
None
 0.60A 5h2uB-2qobA:
24.2		 5h2uB-2qobA:
33.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		 2qob EPHRIN RECEPTOR
(Homo
sapiens) 		5 / 12 VAL A 635
ALA A 651
ILE A 683
ILE A 697
THR A 699
 BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
None
None
None
 0.54A 5hesA-2qobA:
11.7		 5hesA-2qobA:
31.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HIE_A_P06A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 2qob EPHRIN RECEPTOR
(Homo
sapiens) 		5 / 12 GLY A 630
VAL A 635
ALA A 651
ILE A 697
THR A 699
 None
BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
None
None
 0.74A 5hieA-2qobA:
26.2		 5hieA-2qobA:
31.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HIE_B_P06B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 2qob EPHRIN RECEPTOR
(Homo
sapiens) 		5 / 12 GLY A 630
VAL A 635
ALA A 651
ILE A 697
THR A 699
 None
BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
None
None
 0.76A 5hieB-2qobA:
26.3		 5hieB-2qobA:
31.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HIE_D_P06D801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 2qob EPHRIN RECEPTOR
(Homo
sapiens) 		5 / 12 GLY A 630
VAL A 635
ALA A 651
ILE A 697
THR A 699
 None
BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
None
None
 0.75A 5hieD-2qobA:
26.3		 5hieD-2qobA:
31.55
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.
5ICX_E_SC2E1_1
(CETUXIMAB FAB LIGHT
CHAIN
MEDITOPE)		 2iuw ALKYLATED REPAIR
PROTEIN ALKB HOMOLOG
3
(Homo
sapiens) 		3 / 3 VAL A 270
GLN A 108
CYH A 110
 None
None
BME  A 802 (-1.9A)
 0.68A 5icxA-2iuwA:
undetectable
5icxE-2iuwA:
undetectable		 5icxA-2iuwA:
21.40
5icxE-2iuwA:
4.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JMN_B_FUAB1101_1
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		 3kys TRANSCRIPTIONAL
ENHANCER FACTOR
TEF-1
(Homo
sapiens) 		4 / 5 ILE A 372
LEU A 203
HIS A 226
VAL A 225
 BME  A 700 ( 4.9A)
None
None
None
 1.24A 5jmnB-3kysA:
undetectable		 5jmnB-3kysA:
11.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5JNA_A_TORA302_1
(CARBONIC ANHYDRASE 4)		 1kop CARBONIC ANHYDRASE
(Neisseria
gonorrhoeae) 		11 / 12 ASN A  64
GLN A  90
HIS A  92
HIS A  94
GLU A  98
HIS A 111
VAL A 113
VAL A 123
LEU A 176
THR A 177
THR A 178
 BME  A 303 (-4.7A)
None
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 4.6A)
ZN  A 301 ( 3.2A)
None
None
AZI  A 305 (-4.2A)
AZI  A 305 (-3.4A)
AZI  A 305 ( 4.2A)
 0.44A 5jnaA-1kopA:
27.2		 5jnaA-1kopA:
33.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5JNA_B_TORB302_1
(CARBONIC ANHYDRASE 4)		 1kop CARBONIC ANHYDRASE
(Neisseria
gonorrhoeae) 		11 / 12 ASN A  64
GLN A  90
HIS A  92
HIS A  94
HIS A 111
VAL A 113
VAL A 123
LEU A 176
THR A 177
THR A 178
TRP A 187
 BME  A 303 (-4.7A)
None
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.2A)
None
None
AZI  A 305 (-4.2A)
AZI  A 305 (-3.4A)
AZI  A 305 ( 4.2A)
None
 0.45A 5jnaB-1kopA:
27.4		 5jnaB-1kopA:
33.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5JNA_C_TORC302_1
(CARBONIC ANHYDRASE 4)		 1kop CARBONIC ANHYDRASE
(Neisseria
gonorrhoeae) 		10 / 11 ASN A  64
GLN A  90
HIS A  92
HIS A  94
HIS A 111
VAL A 113
VAL A 123
LEU A 176
THR A 177
THR A 178
 BME  A 303 (-4.7A)
None
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.2A)
None
None
AZI  A 305 (-4.2A)
AZI  A 305 (-3.4A)
AZI  A 305 ( 4.2A)
 0.44A 5jnaC-1kopA:
26.8		 5jnaC-1kopA:
33.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5JNA_D_TORD302_1
(CARBONIC ANHYDRASE 4)		 1kop CARBONIC ANHYDRASE
(Neisseria
gonorrhoeae) 		11 / 12 ASN A  64
GLN A  90
HIS A  92
HIS A  94
HIS A 111
VAL A 113
VAL A 123
LEU A 176
THR A 177
THR A 178
TRP A 187
 BME  A 303 (-4.7A)
None
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.2A)
None
None
AZI  A 305 (-4.2A)
AZI  A 305 (-3.4A)
AZI  A 305 ( 4.2A)
None
 0.41A 5jnaD-1kopA:
26.9		 5jnaD-1kopA:
33.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5K7U_A_SAMA601_1
(N6-ADENOSINE-METHYLT
RANSFERASE 70 KDA
SUBUNIT)		 2bxy MALTOOLIGOSYLTREHALO
SE TREHALOHYDROLASE
(Deinococcus
radiodurans) 		3 / 3 ASP A 329
ASN A 398
GLN A 401
 None
BME  A1608 (-4.3A)
None
 0.75A 5k7uA-2bxyA:
undetectable		 5k7uA-2bxyA:
16.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KBW_B_RBFB201_1
(RIBOFLAVIN
TRANSPORTER RIBU)		 3ne7 ACETYLTRANSFERASE
(Thermoplasma
acidophilum) 		5 / 12 GLU A 112
LEU A 125
GLY A 142
ASN A 141
VAL A 145
 None
BME  A 162 ( 3.9A)
None
GOL  A 165 (-3.0A)
None
 1.20A 5kbwB-3ne7A:
undetectable		 5kbwB-3ne7A:
25.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KVA_A_SAMA301_0
(CAFFEOYL-COA
O-METHYLTRANSFERASE)		 3all 2-METHYL-3-HYDROXYPY
RIDINE-5-CARBOXYLIC
ACID OXYGENASE
(Mesorhizobium
japonicum) 		5 / 12 MET A 293
THR A 272
GLY A 287
ALA A 308
ASP A 288
 None
BME  A 381 ( 4.7A)
FAD  A 380 (-3.4A)
None
FAD  A 380 (-3.1A)
 0.97A 5kvaA-3allA:
2.5		 5kvaA-3allA:
21.79
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.
5KVA_B_SAMB301_0
(CAFFEOYL-COA
O-METHYLTRANSFERASE)		 3all 2-METHYL-3-HYDROXYPY
RIDINE-5-CARBOXYLIC
ACID OXYGENASE
(Mesorhizobium
japonicum) 		5 / 12 MET A 293
THR A 272
GLY A 287
ALA A 308
ASP A 288
 None
BME  A 381 ( 4.7A)
FAD  A 380 (-3.4A)
None
FAD  A 380 (-3.1A)
 0.97A 5kvaB-3allA:
2.6		 5kvaB-3allA:
21.79
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.
5L0Z_A_SAMA304_0
(PROBABLE RNA
METHYLTRANSFERASE,
TRMH FAMILY)		 3onp TRNA/RRNA
METHYLTRANSFERASE
(SPOU)
(Rhodobacter
sphaeroides) 		5 / 12 THR A  80
GLY A 116
GLY A 121
LEU A 145
LEU A 147
 BME  A 251 ( 4.4A)
ACY  A 250 (-4.5A)
ACY  A 250 (-3.5A)
BME  A 251 ( 3.9A)
ACY  A 250 ( 4.5A)
 0.70A 5l0zA-3onpA:
17.0		 5l0zA-3onpA:
23.36
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.
5L0Z_B_SAMB304_0
(PROBABLE RNA
METHYLTRANSFERASE,
TRMH FAMILY)		 3onp TRNA/RRNA
METHYLTRANSFERASE
(SPOU)
(Rhodobacter
sphaeroides) 		5 / 10 THR A  80
GLY A 116
GLY A 121
LEU A 145
LEU A 147
 BME  A 251 ( 4.4A)
ACY  A 250 (-4.5A)
ACY  A 250 (-3.5A)
BME  A 251 ( 3.9A)
ACY  A 250 ( 4.5A)
 0.77A 5l0zB-3onpA:
7.0		 5l0zB-3onpA:
23.36
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.
5LSU_B_SAMB1304_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
NSD2)		 5nl6 CALPONIN DOMAIN
FAMILY PROTEIN
(Entamoeba
histolytica) 		3 / 3 ASN A 438
TYR A 285
CYH A 434
 None
None
BME  A 501 (-2.3A)
 1.11A 5lsuB-5nl6A:
undetectable		 5lsuB-5nl6A:
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.
5ODI_G_ACTG702_0
(HETERODISULFIDE
REDUCTASE, SUBUNIT A)		 2w3p BENZOYL-COA-DIHYDROD
IOL LYASE
(Paraburkholderia
xenovorans) 		3 / 3 GLY A 177
THR A 521
ASN A 115
 BME  A 601 (-3.7A)
None
None
 0.68A 5odiG-2w3pA:
2.1		 5odiG-2w3pA:
21.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5P9I_A_1E8A701_1
(TYROSINE-PROTEIN
KINASE BTK)		 2qob EPHRIN RECEPTOR
(Homo
sapiens) 		6 / 12 GLY A 630
VAL A 635
ALA A 651
ILE A 697
THR A 699
PHE A 765
 None
BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
None
None
None
 0.86A 5p9iA-2qobA:
25.2		 5p9iA-2qobA:
32.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5P9I_A_1E8A701_1
(TYROSINE-PROTEIN
KINASE BTK)		 2qob EPHRIN RECEPTOR
(Homo
sapiens) 		9 / 12 VAL A 635
ALA A 651
LYS A 653
ILE A 697
THR A 699
GLY A 705
LEU A 753
SER A 763
PHE A 765
 BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
None
None
None
None
None
None
None
 1.06A 5p9iA-2qobA:
25.2		 5p9iA-2qobA:
32.95
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.
5SXQ_B_NIZB808_1
(CATALASE-PEROXIDASE)		 1geg ACETOIN REDUCTASE
(Klebsiella
pneumoniae) 		4 / 8 VAL A 144
GLY A 252
GLN A 140
LEU A 248
 None
None
BME  A1462 (-3.9A)
None
 1.08A 5sxqB-1gegA:
undetectable		 5sxqB-1gegA:
17.29
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.
5SYJ_A_NIZA809_1
(CATALASE-PEROXIDASE)		 1geg ACETOIN REDUCTASE
(Klebsiella
pneumoniae) 		4 / 8 VAL A 144
GLY A 252
GLN A 140
LEU A 248
 None
None
BME  A1462 (-3.9A)
None
 1.10A 5syjA-1gegA:
undetectable		 5syjA-1gegA:
17.43
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.
5T7B_A_IPHA901_0
(PROTEIN ARGONAUTE-2)		 2i5p GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
1
(Kluyveromyces
marxianus) 		4 / 6 PHE O 230
VAL O 175
ALA O 229
THR O 150
 None
None
BME  O1023 ( 4.8A)
None
 1.10A 5t7bA-2i5pO:
3.5		 5t7bA-2i5pO:
18.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TE0_A_XINA401_2
(AP2-ASSOCIATED
PROTEIN KINASE 1)		 4da1 PROTEIN PHOSPHATASE
1K, MITOCHONDRIAL
(Homo
sapiens) 		4 / 5 LEU A 160
VAL A 192
CYH A 145
CYH A 138
 None
None
BME  A 502 (-2.0A)
None
 1.28A 5te0A-4da1A:
undetectable		 5te0A-4da1A:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TUD_A_ERMA2001_2
(5-HYDROXYTRYPTAMINE
RECEPTOR 2B,SOLUBLE
CYTOCHROME B562
CHIMERA)		 1z05 TRANSCRIPTIONAL
REGULATOR, ROK
FAMILY
(Vibrio
cholerae) 		4 / 7 LEU A 321
VAL A 328
GLN A 361
GLU A 360
 None
None
BME  A 413 ( 4.8A)
BME  A 413 (-3.6A)
 1.08A 5tudA-1z05A:
undetectable		 5tudA-1z05A:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TZO_A_7V7A202_1
(ENDO-1,4-BETA-XYLANA
SE A)		 4da1 PROTEIN PHOSPHATASE
1K, MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 PHE A 292
VAL A 343
ALA A  98
ALA A 323
GLY A  96
 None
None
None
None
BME  A 501 ( 4.5A)
 1.39A 5tzoA-4da1A:
undetectable		 5tzoA-4da1A:
16.15
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.
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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WQP_A_NCAA302_0
(PROBABLE
DEHYDROGENASE)		 1geg ACETOIN REDUCTASE
(Klebsiella
pneumoniae) 		4 / 8 SER A 139
GLN A 140
TYR A 152
MET A 189
 BME  A1462 ( 2.8A)
BME  A1462 (-3.9A)
BME  A1462 ( 4.4A)
NAD  A2001 (-3.5A)
 1.05A 5wqpA-1gegA:
23.2		 5wqpA-1gegA:
27.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X1F_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2igp RETINOBLASTOMA-ASSOC
IATED PROTEIN HEC
(Homo
sapiens) 		4 / 6 LEU A 185
ARG A  97
THR A 104
LEU A 103
 None
BME  A 269 (-3.2A)
None
None
 1.09A 5x1fA-2igpA:
undetectable
5x1fJ-2igpA:
undetectable		 5x1fA-2igpA:
12.50
5x1fJ-2igpA:
15.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X23_A_LSNA502_2
(CYTOCHROME P450 2C9)		 4ixu ARGINASE-2,
MITOCHONDRIAL
(Homo
sapiens) 		3 / 3 LEU A  58
VAL A 316
ASP A 317
 BME  A 404 (-4.6A)
None
None
 0.62A 5x23A-4ixuA:
undetectable		 5x23A-4ixuA:
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.
5ZCP_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2igp RETINOBLASTOMA-ASSOC
IATED PROTEIN HEC
(Homo
sapiens) 		4 / 8 LEU A 185
ARG A  97
THR A 104
LEU A 103
 None
BME  A 269 (-3.2A)
None
None
 0.91A 5zcpN-2igpA:
undetectable
5zcpW-2igpA:
undetectable		 5zcpN-2igpA:
12.50
5zcpW-2igpA:
15.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZSF_A_6T0A910_0
(TOLL-LIKE RECEPTOR 7)		 4mr0 PLASMIN AND
FIBRONECTIN-BINDING
PROTEIN A
(Streptococcus
pneumoniae) 		4 / 7 THR A 366
LEU A 315
ILE A 292
THR A 291
 BME  A 701 (-4.4A)
BME  A 701 ( 4.3A)
None
None
 0.90A 5zsfA-4mr0A:
2.8
5zsfB-4mr0A:
3.5		 5zsfA-4mr0A:
7.15
5zsfB-4mr0A:
7.15
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.
6B5V_A_ECLA1001_1
(TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 5)		 2r2i GUANYLYL
CYCLASE-ACTIVATING
PROTEIN 1
(Gallus
gallus) 		4 / 7 PHE A  62
ILE A  70
LEU A  33
ILE A 177
 MYR  A   1 ( 4.7A)
MYR  A   1 ( 4.7A)
BME  A 301 (-4.1A)
MYR  A   1 ( 4.6A)
 0.84A 6b5vA-2r2iA:
undetectable
6b5vC-2r2iA:
undetectable		 6b5vA-2r2iA:
19.27
6b5vC-2r2iA:
19.27
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.
6B5V_B_ECLB1001_1
(TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 5)		 2r2i GUANYLYL
CYCLASE-ACTIVATING
PROTEIN 1
(Gallus
gallus) 		4 / 7 PHE A  62
ILE A  70
LEU A  33
ILE A 177
 MYR  A   1 ( 4.7A)
MYR  A   1 ( 4.7A)
BME  A 301 (-4.1A)
MYR  A   1 ( 4.6A)
 0.84A 6b5vA-2r2iA:
undetectable
6b5vB-2r2iA:
undetectable		 6b5vA-2r2iA:
19.27
6b5vB-2r2iA:
19.27
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.
6B5V_C_ECLC1001_1
(TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 5)		 2r2i GUANYLYL
CYCLASE-ACTIVATING
PROTEIN 1
(Gallus
gallus) 		4 / 7 PHE A  62
ILE A  70
LEU A  33
ILE A 177
 MYR  A   1 ( 4.7A)
MYR  A   1 ( 4.7A)
BME  A 301 (-4.1A)
MYR  A   1 ( 4.6A)
 0.84A 6b5vC-2r2iA:
undetectable
6b5vD-2r2iA:
undetectable		 6b5vC-2r2iA:
19.27
6b5vD-2r2iA:
19.27
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.
6B5V_D_ECLD1001_1
(TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 5)		 2r2i GUANYLYL
CYCLASE-ACTIVATING
PROTEIN 1
(Gallus
gallus) 		4 / 7 PHE A  62
ILE A  70
LEU A  33
ILE A 177
 MYR  A   1 ( 4.7A)
MYR  A   1 ( 4.7A)
BME  A 301 (-4.1A)
MYR  A   1 ( 4.6A)
 0.84A 6b5vB-2r2iA:
undetectable
6b5vD-2r2iA:
undetectable		 6b5vB-2r2iA:
19.27
6b5vD-2r2iA:
19.27
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.
6BBS_A_BZ1A302_1
(CARBONIC ANHYDRASE 2)		 1kop CARBONIC ANHYDRASE
(Neisseria
gonorrhoeae) 		10 / 12 TRP A   7
ASN A  64
HIS A  66
GLN A  90
HIS A  92
HIS A  94
LEU A 176
THR A 177
THR A 178
TRP A 187
 None
BME  A 303 (-4.7A)
BME  A 303 (-3.6A)
None
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.3A)
AZI  A 305 (-4.2A)
AZI  A 305 (-3.4A)
AZI  A 305 ( 4.2A)
None
 0.52A 6bbsA-1kopA:
24.4		 6bbsA-1kopA:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BBS_A_BZ1A302_1
(CARBONIC ANHYDRASE 2)		 1kop CARBONIC ANHYDRASE
(Neisseria
gonorrhoeae) 		6 / 12 TRP A   7
HIS A  66
HIS A  92
THR A 177
THR A 178
TRP A 187
 None
BME  A 303 (-3.6A)
ZN  A 301 ( 3.2A)
AZI  A 305 (-3.4A)
AZI  A 305 ( 4.2A)
None
 1.33A 6bbsA-1kopA:
24.4		 6bbsA-1kopA:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BC9_A_ETSA302_1
(CARBONIC ANHYDRASE 2)		 1kop CARBONIC ANHYDRASE
(Neisseria
gonorrhoeae) 		11 / 12 TRP A   7
ASN A  64
GLN A  90
HIS A  92
HIS A  94
VAL A 113
LEU A 176
THR A 177
THR A 178
PRO A 180
TRP A 187
 None
BME  A 303 (-4.7A)
None
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.3A)
None
AZI  A 305 (-4.2A)
AZI  A 305 (-3.4A)
AZI  A 305 ( 4.2A)
None
None
 0.49A 6bc9A-1kopA:
29.8		 6bc9A-1kopA:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BC9_A_ETSA302_2
(CARBONIC ANHYDRASE 2)		 1kop CARBONIC ANHYDRASE
(Neisseria
gonorrhoeae) 		4 / 5 HIS A  66
GLU A  98
HIS A 111
VAL A 123
 BME  A 303 (-3.6A)
ZN  A 301 ( 4.6A)
ZN  A 301 ( 3.2A)
None
 0.14A 6bc9A-1kopA:
29.8		 6bc9A-1kopA:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BKL_C_EU7C101_0
(MATRIX PROTEIN 2)		 3a28 L-2.3-BUTANEDIOL
DEHYDROGENASE
(Corynebacterium
glutamicum) 		5 / 9 ALA C 183
SER C 141
VAL C 229
VAL C 187
GLY C 253
 None
BME  C4462 ( 3.3A)
None
NAD  C4300 (-3.7A)
None
 1.27A 6bklA-3a28C:
undetectable
6bklB-3a28C:
undetectable
6bklC-3a28C:
undetectable
6bklD-3a28C:
undetectable		 6bklA-3a28C:
7.57
6bklB-3a28C:
7.57
6bklC-3a28C:
7.57
6bklD-3a28C:
7.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BP4_B_SAMB505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC)		 1k2f SIAH-1A PROTEIN
(Mus
musculus) 		5 / 12 GLY A 213
HIS A 147
CYH A 128
CYH A 130
GLY A 139
 None
ZN  A 601 (-3.0A)
ZN  A 601 (-2.1A)
BME  A 550 (-2.1A)
None
 1.27A 6bp4B-1k2fA:
undetectable		 6bp4B-1k2fA:
20.14
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.
6BSD_A_1N1A901_0
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 2qob EPHRIN RECEPTOR
(Homo
sapiens) 		7 / 12 VAL A 635
ALA A 651
ILE A 683
THR A 699
MET A 702
GLY A 705
LEU A 753
 BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
None
None
PTR  A 701 ( 3.5A)
None
None
 0.68A 6bsdA-2qobA:
23.9		 6bsdA-2qobA:
13.35
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.
6DWD_B_GLYB709_0
(DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1)		 1k2f SIAH-1A PROTEIN
(Mus
musculus) 		4 / 5 GLY A 229
ASN A 228
ARG A 232
ARG A 233
 None
None
None
BME  A 553 ( 4.3A)
 1.35A 6dwdB-1k2fA:
0.0
6dwdD-1k2fA:
0.0		 6dwdB-1k2fA:
14.26
6dwdD-1k2fA:
14.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F7L_B_ACTB505_0
(AMINE OXIDASE LKCE)		 5dx9 TREHALOSE-6-PHOSPHAT
E PHOSPHATASE
(Cryptococcus
neoformans) 		3 / 3 HIS A 140
ASN A 178
LEU A 179
 T6P  A 402 (-3.7A)
T6P  A 402 (-3.5A)
BME  A 403 ( 4.3A)
 0.90A 6f7lB-5dx9A:
2.6		 6f7lB-5dx9A:
19.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6FNM_A_1N1A1001_1
(-)		 2qob EPHRIN RECEPTOR
(Homo
sapiens) 		10 / 12 VAL A 635
ALA A 651
LYS A 653
GLU A 670
MET A 674
ILE A 697
THR A 699
MET A 702
GLY A 705
LEU A 753
 BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
None
None
None
None
None
PTR  A 701 ( 3.5A)
None
None
 0.60A 6fnmA-2qobA:
30.9		 6fnmA-2qobA:
69.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6FNM_A_1N1A1001_1
(-)		 2qob EPHRIN RECEPTOR
(Homo
sapiens) 		8 / 12 VAL A 635
ALA A 651
LYS A 653
GLU A 670
MET A 702
GLY A 705
LEU A 753
SER A 763
 BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
None
None
PTR  A 701 ( 3.5A)
None
None
None
 0.77A 6fnmA-2qobA:
30.9		 6fnmA-2qobA:
69.35
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.
6G31_G_ZOLG401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 3fnb ACYLAMINOACYL
PEPTIDASE SMU_737
(Streptococcus
mutans) 		4 / 7 ASP A 166
ARG A  10
GLN A 304
LYS A 300
 BME  A 403 (-4.3A)
None
None
None
 1.38A 6g31G-3fnbA:
2.3		 6g31G-3fnbA:
13.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HD4_A_STIA604_0
(TYROSINE-PROTEIN
KINASE ABL1)		 2qob EPHRIN RECEPTOR
(Homo
sapiens) 		7 / 12 VAL A 635
ALA A 651
GLU A 670
MET A 674
ILE A 697
THR A 699
ASP A 764
 BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
None
None
None
None
None
 1.04A 6hd4A-2qobA:
26.1		 6hd4A-2qobA:
13.16
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.
6HD4_B_STIB602_0
(TYROSINE-PROTEIN
KINASE ABL1)		 2qob EPHRIN RECEPTOR
(Homo
sapiens) 		7 / 12 VAL A 635
ALA A 651
GLU A 670
MET A 674
ILE A 697
THR A 699
ASP A 764
 BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
None
None
None
None
None
 1.02A 6hd4B-2qobA:
26.2		 6hd4B-2qobA:
13.16
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.
6R2E_G_FFOG403_0
(THYMIDYLATE SYNTHASE)		 1qdn PROTEIN
(N-ETHYLMALEIMIDE
SENSITIVE FUSION
PROTEIN (NSF))
(Cricetulus
griseus) 		5 / 11 PHE A 125
ASN A 180
LEU A 176
GLY A 175
PHE A 130
 None
None
BME  A 401 (-4.1A)
None
None
 1.18A 6r2eG-1qdnA:
0.0		 6r2eG-1qdnA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
7DFR_A_FOLA161_1
(DIHYDROFOLATE
REDUCTASE)		 3oga NUCLEOSIDE
TRIPHOSPHATASE NUDI
(Salmonella
enterica) 		3 / 3 ASP A  97
LEU A  10
ARG A  73
 None
None
BME  A 142 ( 3.9A)
 0.74A 7dfrA-3ogaA:
undetectable		 7dfrA-3ogaA:
20.44