SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '010'


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.
1EII_A_RTLA135_0
(CELLULAR
RETINOL-BINDING
PROTEIN II)		 1r4p SHIGA-LIKE TOXIN
TYPE II A SUBUNIT
(Escherichia
coli) 		5 / 12 THR A 110
ILE A   5
THR A 165
LEU A 117
LEU A 142
 FMT  A3010 (-2.7A)
None
None
None
None
 1.07A 1eiiA-1r4pA:
0.0		 1eiiA-1r4pA:
17.39
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.
1EIZ_A_SAMA301_0
(FTSJ)		 2elc ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE
(Thermus
thermophilus) 		6 / 12 ALA A 116
GLY A  85
GLY A 258
GLY A 259
LEU A 252
LEU A 255
 None
GOL  A2010 ( 4.5A)
None
None
None
None
 1.23A 1eizA-2elcA:
2.2		 1eizA-2elcA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EJ0_A_SAMA301_0
(FTSJ)		 2elc ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE
(Thermus
thermophilus) 		6 / 12 ALA A 116
GLY A  85
GLY A 258
GLY A 259
LEU A 252
LEU A 255
 None
GOL  A2010 ( 4.5A)
None
None
None
None
 1.21A 1ej0A-2elcA:
2.1		 1ej0A-2elcA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EUP_A_ASDA452_1
(CYTOCHROME P450ERYF)		 3a0h PHOTOSYSTEM II CORE
LIGHT HARVESTING
PROTEIN
PHOTOSYSTEM II D2
PROTEIN
(Thermosynechococ
cus
vulcanus) 		5 / 8 PHE B 250
SER D 155
ILE D 159
LEU B 460
LEU D 291
 CLA  B1010 ( 3.7A)
CLA  D1004 ( 4.7A)
DGD  B1058 (-4.5A)
DGD  B1058 (-3.6A)
DGD  B1058 ( 4.6A)
 1.24A 1eupA-3a0hB:
undetectable		 1eupA-3a0hB:
23.28
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.
1F9G_A_ASCA950_0
(HYALURONATE LYASE)		 1cb8 PROTEIN
(CHONDROITINASE AC)
(Pedobacter
heparinus) 		6 / 7 ASN A 125
TRP A 127
TYR A 234
ARG A 288
ARG A 292
ASN A 374
 None
None
GOL  A2010 (-3.9A)
GOL  A2010 ( 3.7A)
GOL  A2010 ( 2.6A)
None
 0.46A 1f9gA-1cb8A:
43.6		 1f9gA-1cb8A:
26.05
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.
1FO4_B_SALB4005_1
(XANTHINE
DEHYDROGENASE)		 1c30 CARBAMOYL PHOSPHATE
SYNTHETASE: LARGE
SUBUNIT
(Escherichia
coli) 		4 / 7 GLU A 577
SER A 913
VAL A 893
ALA A  52
 None
None
ORN  A4010 ( 4.7A)
None
 1.06A 1fo4B-1c30A:
1.8		 1fo4B-1c30A:
22.95
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.
1H7X_A_URFA1033_1
(DIHYDROPYRIMIDINE
DEHYDROGENASE)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		4 / 6 ILE A 286
ASN A 270
ASN A 522
THR A 519
 None
GOL  A1010 ( 4.0A)
GOL  A1010 (-3.0A)
None
 1.17A 1h7xA-3welA:
7.3		 1h7xA-3welA:
22.91
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.
1H7X_C_URFC1033_1
(DIHYDROPYRIMIDINE
DEHYDROGENASE)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		4 / 6 ILE A 286
ASN A 270
ASN A 522
THR A 519
 None
GOL  A1010 ( 4.0A)
GOL  A1010 (-3.0A)
None
 1.18A 1h7xC-3welA:
10.3		 1h7xC-3welA:
22.91
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.
1H7X_D_URFD1033_1
(DIHYDROPYRIMIDINE
DEHYDROGENASE)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		4 / 6 ILE A 286
ASN A 270
ASN A 522
THR A 519
 None
GOL  A1010 ( 4.0A)
GOL  A1010 (-3.0A)
None
 1.17A 1h7xD-3welA:
8.2		 1h7xD-3welA:
22.91
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.
1HBP_A_RTLA184_0
(RETINOL BINDING
PROTEIN)		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		5 / 11 PHE A 561
ALA A 570
ALA A 574
VAL A 750
GLN A 756
 None
None
GLC  A1010 (-3.5A)
None
None
 1.33A 1hbpA-4okdA:
undetectable		 1hbpA-4okdA:
11.60
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.
1HVY_A_D16A414_1
(THYMIDYLATE SYNTHASE)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		5 / 12 TRP B 582
ASN B 585
LEU B 434
GLY B 430
TYR B 437
 CLA  A9012 ( 3.5A)
CLA  A9012 (-3.7A)
CLA  A9012 ( 3.9A)
CLA  A9013 (-3.4A)
CLA  B9010 (-4.6A)
 0.97A 1hvyA-4rkuB:
undetectable		 1hvyA-4rkuB:
17.09
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.
1HVY_B_D16B415_1
(THYMIDYLATE SYNTHASE)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		5 / 12 TRP B 582
ASN B 585
LEU B 434
GLY B 430
TYR B 437
 CLA  A9012 ( 3.5A)
CLA  A9012 (-3.7A)
CLA  A9012 ( 3.9A)
CLA  A9013 (-3.4A)
CLA  B9010 (-4.6A)
 1.00A 1hvyB-4rkuB:
undetectable		 1hvyB-4rkuB:
17.09
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.
1HVY_C_D16C416_1
(THYMIDYLATE SYNTHASE)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		5 / 11 TRP B 582
ASN B 585
LEU B 434
GLY B 430
TYR B 437
 CLA  A9012 ( 3.5A)
CLA  A9012 (-3.7A)
CLA  A9012 ( 3.9A)
CLA  A9013 (-3.4A)
CLA  B9010 (-4.6A)
 1.01A 1hvyC-4rkuB:
undetectable		 1hvyC-4rkuB:
17.09
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.
1HVY_D_D16D417_1
(THYMIDYLATE SYNTHASE)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		5 / 12 TRP B 582
ASN B 585
LEU B 434
GLY B 430
TYR B 437
 CLA  A9012 ( 3.5A)
CLA  A9012 (-3.7A)
CLA  A9012 ( 3.9A)
CLA  A9013 (-3.4A)
CLA  B9010 (-4.6A)
 0.89A 1hvyD-4rkuB:
undetectable		 1hvyD-4rkuB:
17.09
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.
1MJ2_A_SAMA2201_1
(PROTEIN (METHIONINE
REPRESSOR))		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		4 / 4 HIS B 389
ALA B 388
PHE B 387
GLY B 335
 CLA  B1226 (-4.0A)
CLA  B1226 ( 4.2A)
BCR  B6010 ( 3.2A)
BCR  B6010 ( 4.3A)
 1.11A 1mj2B-4rkuB:
undetectable		 1mj2B-4rkuB:
9.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MJ2_C_SAMC1200_1
(PROTEIN (METHIONINE
REPRESSOR))		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		4 / 4 HIS B 389
ALA B 388
PHE B 387
GLY B 335
 CLA  B1226 (-4.0A)
CLA  B1226 ( 4.2A)
BCR  B6010 ( 3.2A)
BCR  B6010 ( 4.3A)
 1.06A 1mj2D-4rkuB:
undetectable		 1mj2D-4rkuB:
9.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MJO_A_SAMA199_1
(METHIONINE REPRESSOR)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		4 / 4 HIS B 389
ALA B 388
PHE B 387
GLY B 335
 CLA  B1226 (-4.0A)
CLA  B1226 ( 4.2A)
BCR  B6010 ( 3.2A)
BCR  B6010 ( 4.3A)
 1.09A 1mjoB-4rkuB:
undetectable		 1mjoB-4rkuB:
9.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MJO_B_SAMB200_0
(METHIONINE REPRESSOR)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		4 / 4 HIS B 389
ALA B 388
PHE B 387
GLY B 335
 CLA  B1226 (-4.0A)
CLA  B1226 ( 4.2A)
BCR  B6010 ( 3.2A)
BCR  B6010 ( 4.3A)
 1.09A 1mjoA-4rkuB:
undetectable		 1mjoA-4rkuB:
9.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MJO_D_SAMD200_1
(METHIONINE REPRESSOR)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		4 / 4 HIS B 389
ALA B 388
PHE B 387
GLY B 335
 CLA  B1226 (-4.0A)
CLA  B1226 ( 4.2A)
BCR  B6010 ( 3.2A)
BCR  B6010 ( 4.3A)
 1.09A 1mjoD-4rkuB:
undetectable		 1mjoD-4rkuB:
9.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1N13_H_AG2H7012_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN)		 5v8k P800 REACTION CENTER
CORE PROTEIN
(Heliobacterium
modesticaldum) 		4 / 6 GLU A 112
LEU A  30
LEU A  37
GLY A  38
 GBF  A1010 (-3.4A)
GBF  A1011 (-3.9A)
GBF  A1008 ( 3.2A)
None
 0.89A 1n13H-5v8kA:
undetectable
1n13K-5v8kA:
undetectable		 1n13H-5v8kA:
10.93
1n13K-5v8kA:
6.42
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.
1N13_J_AG2J7013_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		 5v8k P800 REACTION CENTER
CORE PROTEIN
(Heliobacterium
modesticaldum) 		4 / 7 LEU A  30
LEU A  37
GLY A  38
GLU A 112
 GBF  A1011 (-3.9A)
GBF  A1008 ( 3.2A)
None
GBF  A1010 (-3.4A)
 0.90A 1n13G-5v8kA:
undetectable
1n13J-5v8kA:
undetectable		 1n13G-5v8kA:
6.42
1n13J-5v8kA:
10.93
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.
1N2X_A_SAMA401_0
(S-ADENOSYL-METHYLTRA
NSFERASE MRAW)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		5 / 12 HIS A 394
THR A 440
GLY A 442
GLY A 240
ASP A 453
 ACT  A1001 (-4.4A)
None
None
None
GOL  A1010 (-4.1A)
 1.32A 1n2xA-5j78A:
3.3		 1n2xA-5j78A:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q23_C_FUAC701_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 3a0h PHOTOSYSTEM II CORE
LIGHT HARVESTING
PROTEIN
(Thermosynechococ
cus
vulcanus) 		4 / 4 ALA B 204
VAL B 208
ALA B 205
HIS B 202
 CLA  B1010 ( 3.7A)
CLA  B1010 (-4.4A)
CLA  B1010 (-3.6A)
CLA  B1011 (-3.7A)
 1.18A 1q23A-3a0hB:
undetectable		 1q23A-3a0hB:
16.80
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.
1Q23_E_FUAE706_2
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 3a0h PHOTOSYSTEM II CORE
LIGHT HARVESTING
PROTEIN
(Thermosynechococ
cus
vulcanus) 		4 / 4 ALA B 204
VAL B 208
ALA B 205
HIS B 202
 CLA  B1010 ( 3.7A)
CLA  B1010 (-4.4A)
CLA  B1010 (-3.6A)
CLA  B1011 (-3.7A)
 1.10A 1q23F-3a0hB:
undetectable		 1q23F-3a0hB:
16.80
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.
1Q23_J_FUAJ711_2
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 3a0h PHOTOSYSTEM II CORE
LIGHT HARVESTING
PROTEIN
(Thermosynechococ
cus
vulcanus) 		4 / 4 ALA B 204
VAL B 208
ALA B 205
HIS B 202
 CLA  B1010 ( 3.7A)
CLA  B1010 (-4.4A)
CLA  B1010 (-3.6A)
CLA  B1011 (-3.7A)
 1.12A 1q23K-3a0hB:
undetectable		 1q23K-3a0hB:
16.80
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.
1QZZ_A_SAMA635_0
(ACLACINOMYCIN-10-HYD
ROXYLASE)		 3u9w LEUKOTRIENE A-4
HYDROLASE
(Homo
sapiens) 		5 / 12 GLY A1344
GLY A1345
GLY A1347
PHE A1340
ASN A1500
 IMD  A2009 (-4.1A)
None
IMD  A2009 (-3.5A)
None
IMD  A2010 (-3.7A)
 0.86A 1qzzA-3u9wA:
undetectable		 1qzzA-3u9wA:
21.60
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.
1SG9_A_SAMA301_0
(HEMK PROTEIN)		 1h0h FORMATE
DEHYDROGENASE
SUBUNIT ALPHA
(Desulfovibrio
gigas) 		5 / 12 ILE A 180
GLY A 586
VAL A  22
SER A  21
ASN A 177
 None
None
SF4  A1010 ( 4.3A)
None
None
 1.10A 1sg9A-1h0hA:
undetectable		 1sg9A-1h0hA:
15.63
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.
1SG9_C_SAMC303_0
(HEMK PROTEIN)		 1h0h FORMATE
DEHYDROGENASE
SUBUNIT ALPHA
(Desulfovibrio
gigas) 		5 / 12 ILE A 180
GLY A 586
VAL A  22
SER A  21
ASN A 177
 None
None
SF4  A1010 ( 4.3A)
None
None
 1.09A 1sg9C-1h0hA:
undetectable		 1sg9C-1h0hA:
15.63
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.
1TLM_A_MILA128_1
(TRANSTHYRETIN)		 2igt SAM DEPENDENT
METHYLTRANSFERASE
(Agrobacterium
fabrum) 		3 / 3 LEU A  16
LEU A 282
SER A 301
 ACY  A1010 (-4.9A)
None
None
 0.26A 1tlmA-2igtA:
undetectable		 1tlmA-2igtA:
17.95
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.
1VPT_A_SAMA400_1
(VP39)		 2aeu HYPOTHETICAL PROTEIN
MJ0158
(Methanocaldococc
us
jannaschii) 		3 / 3 ASP A 351
ARG A 350
ASP A  28
 None
SO4  A1010 (-2.6A)
None
 0.82A 1vptA-2aeuA:
2.5		 1vptA-2aeuA:
24.14
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.
1WG8_A_SAMA3142_0
(PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		5 / 12 THR A 451
GLY A 444
GLY A 447
GLY A 240
ARG A 417
 GOL  A1010 (-3.4A)
None
None
None
None
 1.19A 1wg8A-5j78A:
4.0		 1wg8A-5j78A:
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.
1XDS_A_SAMA5635_0
(PROTEIN RDMB)		 3u9w LEUKOTRIENE A-4
HYDROLASE
(Homo
sapiens) 		5 / 12 GLY A1344
GLY A1345
GLY A1347
PHE A1340
ASN A1500
 IMD  A2009 (-4.1A)
None
IMD  A2009 (-3.5A)
None
IMD  A2010 (-3.7A)
 0.79A 1xdsA-3u9wA:
undetectable		 1xdsA-3u9wA:
21.60
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.
1XDS_B_SAMB9635_0
(PROTEIN RDMB)		 3u9w LEUKOTRIENE A-4
HYDROLASE
(Homo
sapiens) 		5 / 12 GLY A1344
GLY A1345
GLY A1347
PHE A1340
ASN A1500
 IMD  A2009 (-4.1A)
None
IMD  A2009 (-3.5A)
None
IMD  A2010 (-3.7A)
 0.81A 1xdsB-3u9wA:
undetectable		 1xdsB-3u9wA:
21.60
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.
1YAJ_F_BEZF5023_0
(CES1 PROTEIN)		 1qqf PROTEIN (COMPLEMENT
C3DG)
(Rattus
norvegicus) 		4 / 6 LEU A1078
GLY A1011
ILE A1125
HIS A1126
 None
CSO  A1010 ( 2.5A)
None
CSO  A1010 ( 4.8A)
 0.76A 1yajF-1qqfA:
undetectable		 1yajF-1qqfA:
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.
2AZQ_A_PCFA954_0
(CATECHOL
1,2-DIOXYGENASE)		 5jjr GENOME POLYPROTEIN
(Dengue
virus) 		5 / 9 THR A  34
LEU A 209
GLU A 216
LEU A 237
LEU A 204
 None
None
None
PEG  A1010 (-4.8A)
None
 1.37A 2azqA-5jjrA:
undetectable		 2azqA-5jjrA:
17.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DPZ_A_TYLA2001_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		 5eb5 HNL ISOENZYME 5
(Prunus
dulcis) 		4 / 6 LEU A 320
ALA A 115
HIS A 460
TYR A 458
 None
None
FAD  A 601 (-4.0A)
010  A 609 (-4.5A)
 1.37A 2dpzA-5eb5A:
undetectable		 2dpzA-5eb5A:
12.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JKC_A_TRPA1520_0
(FLAVIN-DEPENDENT
TRYPTOPHAN
HALOGENASE PRNA)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		5 / 10 ILE A 106
PRO A 107
ILE A 289
PHE A 555
ASN A 270
 None
None
None
None
GOL  A1010 ( 4.0A)
 1.37A 2jkcA-3welA:
0.0		 2jkcA-3welA:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QQD_B_AG2B671_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE (EC
4.1.1.19) (PVLARGDC))		 5v8k P800 REACTION CENTER
CORE PROTEIN
(Heliobacterium
modesticaldum) 		4 / 8 GLU A 112
LEU A  30
LEU A  37
GLY A  38
 GBF  A1010 (-3.4A)
GBF  A1011 (-3.9A)
GBF  A1008 ( 3.2A)
None
 0.84A 2qqdB-5v8kA:
undetectable
2qqdC-5v8kA:
undetectable		 2qqdB-5v8kA:
11.44
2qqdC-5v8kA:
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.
2XTK_B_AZMB1339_1
(CLASS III CHITINASE
CHIA1)		 1c30 CARBAMOYL PHOSPHATE
SYNTHETASE: LARGE
SUBUNIT
(Escherichia
coli) 		5 / 10 TYR A1012
GLY A1046
ALA A1049
ASP A1041
GLN A 932
 None
None
None
ORN  A4010 (-4.6A)
None
 1.47A 2xtkB-1c30A:
undetectable		 2xtkB-1c30A:
14.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YGN_A_PCFA1179_1
(WNT INHIBITORY
FACTOR 1)		 2pvz PRPF METHYLACONITATE
ISOMERASE
(Shewanella
oneidensis) 		4 / 5 ILE A 144
PHE A 181
PRO A 223
VAL A 170
 EDO  A1010 ( 3.7A)
None
EDO  A1010 ( 4.5A)
None
 0.99A 2ygnA-2pvzA:
undetectable		 2ygnA-2pvzA:
16.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Z0A_C_GLYC73_0
(NONSTRUCTURAL
PROTEIN 1)		 1ux6 THROMBOSPONDIN-1
(Homo
sapiens) 		4 / 4 ASP A 843
ASP A 832
SER A1013
ARG A1016
 CA  A2010 (-3.1A)
CA  A2012 ( 2.8A)
None
None
 1.45A 2z0aC-1ux6A:
undetectable		 2z0aC-1ux6A:
13.38
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.
3ABK_W_CHDW1059_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		 4lxr PROTEIN TOLL
(Drosophila
melanogaster) 		4 / 5 ILE A 537
ARG A 591
MET A 529
THR A 530
 None
NAG  A2010 (-2.9A)
None
NAG  A2009 (-3.5A)
 1.20A 3abkN-4lxrA:
undetectable
3abkW-4lxrA:
undetectable		 3abkN-4lxrA:
20.28
3abkW-4lxrA:
5.74
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.
3EBZ_B_017B201_2
(PROTEASE)		 1cb8 PROTEIN
(CHONDROITINASE AC)
(Pedobacter
heparinus) 		5 / 11 LEU A 296
GLY A 287
VAL A 237
GLY A 235
ILE A 231
 None
GOL  A2010 ( 4.3A)
None
None
None
 1.08A 3ebzB-1cb8A:
undetectable		 3ebzB-1cb8A:
10.32
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.
3EEY_C_SAMC300_0
(PUTATIVE RRNA
METHYLASE)		 6f2t -
(-) 		6 / 12 GLY A 216
ASN A 533
ILE A 256
ASN A 514
LEU A 217
THR A 319
 None
NAG  A1010 (-1.9A)
None
None
None
None
 1.40A 3eeyC-6f2tA:
undetectable		 3eeyC-6f2tA:
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.
3IV6_D_SAMD301_0
(PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE)		 4lxr PROTEIN TOLL
(Drosophila
melanogaster) 		5 / 12 THR A 530
SER A 598
ILE A 537
ASP A 557
ARG A 591
 NAG  A2009 (-3.5A)
None
None
NAG  A2009 (-3.8A)
NAG  A2010 (-2.9A)
 1.31A 3iv6D-4lxrA:
undetectable		 3iv6D-4lxrA:
17.60
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.
3JAY_A_SAMA1102_1
(STRUCTURAL PROTEIN
VP3)		 3dlj BETA-ALA-HIS
DIPEPTIDASE
(Homo
sapiens) 		3 / 3 ARG A 342
ASP A 233
ASP A 231
 None
None
UNX  A2010 ( 4.8A)
 0.69A 3jayA-3dljA:
undetectable		 3jayA-3dljA:
17.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JB2_A_SAMA1102_1
(STRUCTURAL PROTEIN
VP3)		 3dlj BETA-ALA-HIS
DIPEPTIDASE
(Homo
sapiens) 		3 / 3 ARG A 342
ASP A 233
ASP A 231
 None
None
UNX  A2010 ( 4.8A)
 0.66A 3jb2A-3dljA:
undetectable		 3jb2A-3dljA:
17.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JB3_A_SAMA1102_1
(STRUCTURAL PROTEIN
VP3)		 3dlj BETA-ALA-HIS
DIPEPTIDASE
(Homo
sapiens) 		3 / 3 ARG A 342
ASP A 233
ASP A 231
 None
None
UNX  A2010 ( 4.8A)
 0.69A 3jb3A-3dljA:
undetectable		 3jb3A-3dljA:
17.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LD6_A_KKKA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 4fys AMINOPEPTIDASE N
(Homo
sapiens) 		5 / 12 PHE A 395
GLY A 499
ALA A 501
THR A 334
ILE A 324
 None
NAG  A1010 ( 4.4A)
None
None
None
 1.14A 3ld6A-4fysA:
undetectable		 3ld6A-4fysA:
17.95
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.
3MED_A_65BA561_0
(P51 REVERSE
TRANSCRIPTASE
P66 REVERSE
TRANSCRIPTASE)		 2elc ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE
(Thermus
thermophilus) 		5 / 12 LEU A  89
ASN A 263
GLY A 257
LEU A 270
GLU A 222
 None
None
None
None
GOL  A2010 ( 3.9A)
 1.24A 3medA-2elcA:
undetectable
3medB-2elcA:
undetectable		 3medA-2elcA:
21.16
3medB-2elcA:
22.95
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.
3NRR_A_D16A530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		5 / 12 TRP B 582
ASN B 585
LEU B 434
GLY B 430
TYR B 437
 CLA  A9012 ( 3.5A)
CLA  A9012 (-3.7A)
CLA  A9012 ( 3.9A)
CLA  A9013 (-3.4A)
CLA  B9010 (-4.6A)
 0.98A 3nrrA-4rkuB:
undetectable		 3nrrA-4rkuB:
21.10
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.
3NRR_B_D16B530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		5 / 12 TRP B 582
ASN B 585
LEU B 434
GLY B 430
TYR B 437
 CLA  A9012 ( 3.5A)
CLA  A9012 (-3.7A)
CLA  A9012 ( 3.9A)
CLA  A9013 (-3.4A)
CLA  B9010 (-4.6A)
 0.98A 3nrrB-4rkuB:
undetectable		 3nrrB-4rkuB:
21.10
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		 2ntt STAPHYLOCOCCAL
ENTEROTOXIN K
(Staphylococcus
aureus) 		4 / 8 LEU A   9
ARG A  10
THR A  14
GLY A 164
 None
None
EDO  A7010 ( 4.9A)
EDO  A7009 (-4.7A)
 0.90A 3ny4A-2nttA:
undetectable		 3ny4A-2nttA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UR0_B_SVRB516_1
(RNA-DEPENDENT RNA
POLYMERASE)		 2pvz PRPF METHYLACONITATE
ISOMERASE
(Shewanella
oneidensis) 		4 / 7 PRO A 184
GLY A 221
ALA A 220
ALA A 331
 None
EDO  A1010 (-3.6A)
None
None
 0.80A 3ur0B-2pvzA:
undetectable		 3ur0B-2pvzA:
23.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VYW_A_SAMA501_1
(MNMC2)		 1ux6 THROMBOSPONDIN-1
(Homo
sapiens) 		4 / 6 GLU A 984
ASP A 933
ASP A 847
ASN A 855
 None
None
CA  A2010 ( 2.8A)
None
 1.24A 3vywA-1ux6A:
undetectable		 3vywA-1ux6A:
17.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A97_E_ZPCE1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 5jb3 30S RIBOSOMAL
PROTEIN S3
(Pyrococcus
abyssi) 		4 / 8 TYR Z 166
VAL Z 180
ILE Z 130
GLU Z  22
 G  21010 ( 4.4A)
None
None
None
 0.95A 4a97D-5jb3Z:
undetectable		 4a97D-5jb3Z:
20.38
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.
4A97_I_ZPCI1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 5jb3 30S RIBOSOMAL
PROTEIN S3
(Pyrococcus
abyssi) 		4 / 7 TYR Z 166
VAL Z 180
ILE Z 130
GLU Z  22
 G  21010 ( 4.4A)
None
None
None
 1.10A 4a97H-5jb3Z:
undetectable		 4a97H-5jb3Z:
20.38
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.
4A97_J_ZPCJ1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 5jb3 30S RIBOSOMAL
PROTEIN S3
(Pyrococcus
abyssi) 		4 / 8 TYR Z 166
VAL Z 180
ILE Z 130
GLU Z  22
 G  21010 ( 4.4A)
None
None
None
 1.05A 4a97I-5jb3Z:
undetectable		 4a97I-5jb3Z:
20.38
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.
4AX8_A_SAMA1474_1
(WBDD)		 2w49 TROPONIN C, SKELETAL
MUSCLE
(Gallus
gallus) 		4 / 6 ARG 0  10
ASP 0  26
GLU 0  40
LEU 0  78
 None
None
CA  01003 (-2.3A)
None
 1.35A 4ax8A-2w490:
undetectable		 4ax8A-2w490:
14.29
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.
4FP9_D_SAMD401_1
(METHYLTRANSFERASE
NSUN4)		 2aeu HYPOTHETICAL PROTEIN
MJ0158
(Methanocaldococc
us
jannaschii) 		3 / 3 ASP A 351
ARG A 350
ASP A  28
 None
SO4  A1010 (-2.6A)
None
 0.63A 4fp9D-2aeuA:
undetectable		 4fp9D-2aeuA:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FZV_A_SAMA401_1
(PUTATIVE
METHYLTRANSFERASE
NSUN4)		 2aeu HYPOTHETICAL PROTEIN
MJ0158
(Methanocaldococc
us
jannaschii) 		3 / 3 ASP A 351
ARG A 350
ASP A  28
 None
SO4  A1010 (-2.6A)
None
 0.73A 4fzvA-2aeuA:
undetectable		 4fzvA-2aeuA:
22.71
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.
4G2Z_A_ID8A711_1
(LACTOTRANSFERRIN)		 1h17 FORMATE
ACETYLTRANSFERASE 1
(Escherichia
coli) 		3 / 3 PRO A 321
TYR A 125
GLY A 120
 None
DTL  A9010 (-4.5A)
None
 0.70A 4g2zA-1h17A:
undetectable		 4g2zA-1h17A:
18.41
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.
4IKI_B_IMNB201_1
(TRANSTHYRETIN)		 2igt SAM DEPENDENT
METHYLTRANSFERASE
(Agrobacterium
fabrum) 		4 / 6 LEU A  16
LEU A 282
SER A 301
THR A 251
 ACY  A1010 (-4.9A)
None
None
None
 0.74A 4ikiB-2igtA:
undetectable		 4ikiB-2igtA:
17.95
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.
4IKI_B_IMNB201_1
(TRANSTHYRETIN)		 3vw7 PROTEINASE-ACTIVATED
RECEPTOR 1, LYSOZYME
(Escherichia
virus
T4;
Homo
sapiens) 		4 / 6 LEU A 229
ALA A 225
LEU A 191
THR A 222
 OLC  A2010 (-4.2A)
OLC  A2010 ( 3.8A)
OLC  A2010 ( 4.5A)
OLC  A2010 (-3.7A)
 1.00A 4ikiB-3vw7A:
undetectable		 4ikiB-3vw7A:
14.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IKJ_A_SUZA201_1
(TRANSTHYRETIN)		 2igt SAM DEPENDENT
METHYLTRANSFERASE
(Agrobacterium
fabrum) 		4 / 7 LEU A  16
LEU A 282
SER A 301
THR A 251
 ACY  A1010 (-4.9A)
None
None
None
 0.80A 4ikjA-2igtA:
undetectable
4ikjB-2igtA:
undetectable		 4ikjA-2igtA:
17.95
4ikjB-2igtA:
17.95
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.
4IKJ_B_SUZB201_1
(TRANSTHYRETIN)		 2igt SAM DEPENDENT
METHYLTRANSFERASE
(Agrobacterium
fabrum) 		4 / 8 LEU A  16
LEU A 282
SER A 301
THR A 251
 ACY  A1010 (-4.9A)
None
None
None
 0.78A 4ikjA-2igtA:
undetectable
4ikjB-2igtA:
undetectable		 4ikjA-2igtA:
17.95
4ikjB-2igtA:
17.95
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.
4KN2_C_LYAC304_2
(FOLATE RECEPTOR BETA)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		3 / 3 TYR B 593
GLN B 376
TRP B 589
 CLA  B1234 (-3.4A)
CLA  B1222 (-3.4A)
CLA  B9010 ( 3.4A)
 1.18A 4kn2C-4rkuB:
undetectable		 4kn2C-4rkuB:
13.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MUB_A_OAQA302_0
(SULFOTRANSFERASE)		 5mzn HELICASE
SEN1,HELICASE SEN1
(Saccharomyces
cerevisiae) 		5 / 12 PHE A1811
LEU A1818
GLY A1615
ASP A1616
THR A1819
 EDO  A2010 ( 2.9A)
None
None
None
None
 1.28A 4mubA-5mznA:
undetectable		 4mubA-5mznA:
16.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NKV_A_AERA601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		4 / 5 TYR B 437
LEU B 444
ASP B 622
VAL A 664
 CLA  B9010 (-4.6A)
None
None
None
 1.17A 4nkvA-4rkuB:
1.6		 4nkvA-4rkuB:
20.13
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.
4POO_A_SAMA301_0
(PUTATIVE RNA
METHYLASE)		 1c30 CARBAMOYL PHOSPHATE
SYNTHETASE: LARGE
SUBUNIT
(Escherichia
coli) 		5 / 12 THR A1043
GLY A1047
ASN A1045
LEU A 960
SER A1018
 ORN  A4010 ( 4.9A)
None
None
None
None
 1.36A 4pooA-1c30A:
3.5		 4pooA-1c30A:
11.01
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.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		 3cma 50S RIBOSOMAL
PROTEIN L32E
(Haloarcula
marismortui) 		3 / 3 GLU Y 165
ALA Y 166
PHE Y 168
 G  01089 ( 3.7A)
G  01269 ( 3.3A)
A  01090 ( 3.7A)
 0.67A 4v1fA-3cmaY:
undetectable		 4v1fA-3cmaY:
18.10
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.
4V1F_C_BQ1C1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		 3cma 50S RIBOSOMAL
PROTEIN L32E
(Haloarcula
marismortui) 		3 / 3 GLU Y 165
ALA Y 166
PHE Y 168
 G  01089 ( 3.7A)
G  01269 ( 3.3A)
A  01090 ( 3.7A)
 0.63A 4v1fC-3cmaY:
undetectable		 4v1fC-3cmaY:
18.10
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.
4WH5_A_3QBA204_1
(LINCOSAMIDE
RESISTANCE PROTEIN)		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		5 / 12 GLY A 579
PHE A 790
PHE A 776
ALA A 574
PHE A 573
 None
None
None
GLC  A1010 (-3.5A)
None
 1.22A 4wh5A-4okdA:
undetectable		 4wh5A-4okdA:
9.78
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.
4YSH_B_GLYB402_0
(GLYCINE OXIDASE)		 1cb8 PROTEIN
(CHONDROITINASE AC)
(Pedobacter
heparinus) 		4 / 5 GLU A 371
TYR A 234
ARG A 292
ARG A 288
 None
GOL  A2010 (-3.9A)
GOL  A2010 ( 2.6A)
GOL  A2010 ( 3.7A)
 1.27A 4yshB-1cb8A:
0.0		 4yshB-1cb8A:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZDZ_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 1c30 CARBAMOYL PHOSPHATE
SYNTHETASE: LARGE
SUBUNIT
(Escherichia
coli) 		4 / 7 PHE A 928
GLY A1046
THR A1043
LEU A 907
 None
None
ORN  A4010 ( 4.9A)
ORN  A4010 (-4.0A)
 0.91A 4zdzA-1c30A:
0.0		 4zdzA-1c30A:
19.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZE3_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 1c30 CARBAMOYL PHOSPHATE
SYNTHETASE: LARGE
SUBUNIT
(Escherichia
coli) 		4 / 7 PHE A 928
GLY A1046
THR A1043
LEU A 907
 None
None
ORN  A4010 ( 4.9A)
ORN  A4010 (-4.0A)
 0.85A 4ze3A-1c30A:
0.0		 4ze3A-1c30A:
18.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EB5_A_010A609_0
(HNL ISOENZYME 5)		 5eb5 HNL ISOENZYME 5
(Prunus
dulcis) 		11 / 11 ALA A 111
ARG A 301
ALA A 317
VAL A 329
LEU A 331
LEU A 343
HIS A 358
VAL A 360
TYR A 458
TRP A 459
HIS A 498
 FAD  A 601 ( 3.2A)
None
010  A 609 ( 3.9A)
None
010  A 609 ( 3.9A)
None
010  A 609 (-4.6A)
010  A 609 ( 4.8A)
010  A 609 (-4.5A)
FAD  A 601 ( 3.7A)
010  A 609 ( 4.0A)
 0.00A 5eb5A-5eb5A:
71.4		 5eb5A-5eb5A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EB5_A_010A609_0
(HNL ISOENZYME 5)		 5eb5 HNL ISOENZYME 5
(Prunus
dulcis) 		6 / 11 ALA A 111
ARG A 301
LEU A 343
HIS A 358
VAL A 360
HIS A 460
 FAD  A 601 ( 3.2A)
None
None
010  A 609 (-4.6A)
010  A 609 ( 4.8A)
FAD  A 601 (-4.0A)
 1.41A 5eb5A-5eb5A:
71.4		 5eb5A-5eb5A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EB5_B_010B607_0
(HNL ISOENZYME 5)		 5eb5 HNL ISOENZYME 5
(Prunus
dulcis) 		10 / 10 ALA A 111
ARG A 301
ALA A 317
VAL A 329
LEU A 343
HIS A 358
VAL A 360
TYR A 458
TRP A 459
HIS A 498
 FAD  A 601 ( 3.2A)
None
010  A 609 ( 3.9A)
None
None
010  A 609 (-4.6A)
010  A 609 ( 4.8A)
010  A 609 (-4.5A)
FAD  A 601 ( 3.7A)
010  A 609 ( 4.0A)
 0.16A 5eb5B-5eb5A:
68.5		 5eb5B-5eb5A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EB5_B_010B607_0
(HNL ISOENZYME 5)		 5eb5 HNL ISOENZYME 5
(Prunus
dulcis) 		6 / 10 ALA A 111
ARG A 301
LEU A 343
HIS A 358
VAL A 360
HIS A 460
 FAD  A 601 ( 3.2A)
None
None
010  A 609 (-4.6A)
010  A 609 ( 4.8A)
FAD  A 601 (-4.0A)
 1.44A 5eb5B-5eb5A:
68.5		 5eb5B-5eb5A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ESE_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 1c30 CARBAMOYL PHOSPHATE
SYNTHETASE: LARGE
SUBUNIT
(Escherichia
coli) 		4 / 8 PHE A 928
GLY A1046
THR A1043
LEU A 907
 None
None
ORN  A4010 ( 4.9A)
ORN  A4010 (-4.0A)
 0.89A 5eseA-1c30A:
0.0		 5eseA-1c30A:
18.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ESF_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 1c30 CARBAMOYL PHOSPHATE
SYNTHETASE: LARGE
SUBUNIT
(Escherichia
coli) 		4 / 8 PHE A 928
GLY A1046
THR A1043
LEU A 907
 None
None
ORN  A4010 ( 4.9A)
ORN  A4010 (-4.0A)
 0.91A 5esfA-1c30A:
0.0		 5esfA-1c30A:
19.76
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.
5ESJ_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 1c30 CARBAMOYL PHOSPHATE
SYNTHETASE: LARGE
SUBUNIT
(Escherichia
coli) 		4 / 8 PHE A 928
GLY A1046
THR A1043
LEU A 907
 None
None
ORN  A4010 ( 4.9A)
ORN  A4010 (-4.0A)
 0.86A 5esjA-1c30A:
0.0		 5esjA-1c30A:
18.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ESK_A_1YNA701_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 2hp3 IDS-EPIMERASE
(Agrobacterium
tumefaciens) 		4 / 4 ALA A 279
PRO A 403
LEU A 409
HIS A 408
 None
None
None
EDO  A1010 ( 3.8A)
 1.25A 5eskA-2hp3A:
undetectable		 5eskA-2hp3A:
22.60
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.
5ESM_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 1c30 CARBAMOYL PHOSPHATE
SYNTHETASE: LARGE
SUBUNIT
(Escherichia
coli) 		4 / 7 PHE A 928
GLY A1046
THR A1043
LEU A 907
 None
None
ORN  A4010 ( 4.9A)
ORN  A4010 (-4.0A)
 0.92A 5esmA-1c30A:
0.0		 5esmA-1c30A:
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.
5FA8_A_SAMA301_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE,
PUTATIVE)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		5 / 12 GLY A 271
GLY A 287
ILE A 503
ASN A 496
LEU A 526
 None
GOL  A1010 (-3.5A)
None
None
None
 1.04A 5fa8A-3welA:
undetectable		 5fa8A-3welA:
10.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HIE_A_P06A801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 2w49 TROPONIN C, SKELETAL
MUSCLE
(Gallus
gallus) 		4 / 7 GLY 0 118
PHE 0 150
ASP 0 113
PHE 0 111
 None
None
CA  01001 ( 4.3A)
None
 0.88A 5hieA-2w490:
undetectable		 5hieA-2w490:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HIE_B_P06B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 2w49 TROPONIN C, SKELETAL
MUSCLE
(Gallus
gallus) 		4 / 7 GLY 0 118
PHE 0 150
ASP 0 113
PHE 0 111
 None
None
CA  01001 ( 4.3A)
None
 0.87A 5hieB-2w490:
undetectable		 5hieB-2w490:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HIE_D_P06D801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 2w49 TROPONIN C, SKELETAL
MUSCLE
(Gallus
gallus) 		4 / 8 GLY 0 118
PHE 0 150
ASP 0 113
PHE 0 111
 None
None
CA  01001 ( 4.3A)
None
 0.86A 5hieD-2w490:
undetectable		 5hieD-2w490:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKR_A_ID8A601_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 1r4p SHIGA-LIKE TOXIN
TYPE II A SUBUNIT
(Escherichia
coli) 		3 / 3 VAL A 120
LEU A  67
MET A 143
 FMT  A3010 (-4.5A)
None
None
 0.90A 5ikrA-1r4pA:
undetectable		 5ikrA-1r4pA:
18.97
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.
5KMF_A_6U9A1301_1
(ION TRANSPORT
PROTEIN)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		4 / 6 THR B 720
GLY B 653
PHE B 652
ILE A 462
 CLA  B9010 (-3.5A)
None
BCR  A6017 ( 4.5A)
CLA  A1132 ( 4.1A)
 0.94A 5kmfA-4rkuB:
undetectable
5kmfC-4rkuB:
2.9		 5kmfA-4rkuB:
17.30
5kmfC-4rkuB:
17.30
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.
5SXQ_A_NIZA808_1
(CATALASE-PEROXIDASE)		 1cb8 PROTEIN
(CHONDROITINASE AC)
(Pedobacter
heparinus) 		4 / 8 GLU A 371
GLY A 226
GLN A 230
LEU A 223
 None
None
GOL  A2010 ( 4.6A)
None
 0.88A 5sxqA-1cb8A:
0.0		 5sxqA-1cb8A:
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.
5UHG_C_RFPC1201_1
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		5 / 12 LEU A 187
ASP A 191
ARG A 103
ASN A 268
ILE A 289
 None
GOL  A1010 (-2.9A)
GOL  A1010 ( 4.5A)
None
None
 1.35A 5uhgC-3welA:
1.4		 5uhgC-3welA:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_A_C2FA3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 4fys AMINOPEPTIDASE N
(Homo
sapiens) 		5 / 12 GLU A 523
LEU A 487
GLY A 499
SER A 502
PHE A 507
 NAG  A1010 (-3.9A)
None
NAG  A1010 ( 4.4A)
NAG  A1010 (-4.1A)
None
 0.86A 5vooA-4fysA:
undetectable		 5vooA-4fysA:
16.54
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.
5VOO_D_C2FD3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 4fys AMINOPEPTIDASE N
(Homo
sapiens) 		5 / 12 GLU A 523
LEU A 487
GLY A 499
SER A 502
PHE A 507
 NAG  A1010 (-3.9A)
None
NAG  A1010 ( 4.4A)
NAG  A1010 (-4.1A)
None
 0.70A 5vooD-4fysA:
undetectable		 5vooD-4fysA:
16.54
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.
5VOO_F_C2FF3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 4fys AMINOPEPTIDASE N
(Homo
sapiens) 		5 / 12 GLU A 523
LEU A 487
GLY A 499
SER A 502
PHE A 507
 NAG  A1010 (-3.9A)
None
NAG  A1010 ( 4.4A)
NAG  A1010 (-4.1A)
None
 0.66A 5vooF-4fysA:
undetectable		 5vooF-4fysA:
16.54
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.
5VOP_A_C2FA3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 4fys AMINOPEPTIDASE N
(Homo
sapiens) 		5 / 12 GLU A 523
LEU A 487
VAL A 495
GLY A 499
SER A 502
 NAG  A1010 (-3.9A)
None
None
NAG  A1010 ( 4.4A)
NAG  A1010 (-4.1A)
 0.81A 5vopA-4fysA:
undetectable		 5vopA-4fysA:
16.54
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.
5ZJI_A_PQNA844_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		 3a0h PHOTOSYSTEM II CORE
LIGHT HARVESTING
PROTEIN
(Thermosynechococ
cus
vulcanus) 		5 / 10 MET B 166
GLY B 160
ILE B 203
ALA B 155
PHE B 247
 None
None
None
None
CLA  B1010 ( 3.6A)
 1.42A 5zjiA-3a0hB:
3.0
5zjiJ-3a0hB:
undetectable		 5zjiA-3a0hB:
9.03
5zjiJ-3a0hB:
7.36
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.
5ZVG_B_SAMB401_1
(389AA LONG
HYPOTHETICAL
NUCLEOLAR PROTEIN)		 2aeu HYPOTHETICAL PROTEIN
MJ0158
(Methanocaldococc
us
jannaschii) 		3 / 3 ASP A 351
ARG A 350
ASP A  28
 None
SO4  A1010 (-2.6A)
None
 0.89A 5zvgB-2aeuA:
3.1		 5zvgB-2aeuA:
23.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CZM_D_HISD402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)		 1vq7 50S RIBOSOMAL
PROTEIN L30P
(Haloarcula
marismortui) 		4 / 8 GLY W 124
GLN W 137
VAL W  29
VAL W 128
 U  01096 ( 3.1A)
None
G  01087 ( 4.5A)
A  01098 ( 3.7A)
 0.85A 6czmD-1vq7W:
undetectable
6czmF-1vq7W:
undetectable		 6czmD-1vq7W:
19.94
6czmF-1vq7W:
19.94
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.
6EKU_A_ZMRA901_2
(SIALIDASE)		 2ntt STAPHYLOCOCCAL
ENTEROTOXIN K
(Staphylococcus
aureus) 		4 / 6 GLN A 134
ASN A 143
SER A 159
PHE A 181
 None
EDO  A7010 (-4.2A)
None
None
 1.25A 6ekuA-2nttA:
undetectable		 6ekuA-2nttA:
15.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F8C_A_STRA502_1
(CYTOCHROME P450
CYP260A1)		 1h0h FORMATE
DEHYDROGENASE
SUBUNIT ALPHA
(Desulfovibrio
gigas) 		4 / 6 ALA A 410
GLY A  57
THR A  60
ILE A 576
 None
SF4  A1010 (-3.5A)
None
None
 0.91A 6f8cA-1h0hA:
0.0		 6f8cA-1h0hA:
6.54
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.
6G31_F_ZOLF401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 1ux6 THROMBOSPONDIN-1
(Homo
sapiens) 		4 / 5 ASP A 854
ASP A 845
GLN A 864
GLN A1012
 CA  A2009 ( 2.3A)
CA  A2010 ( 2.7A)
CA  A2009 ( 4.9A)
None
 1.41A 6g31F-1ux6A:
undetectable		 6g31F-1ux6A:
10.92
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.
6G31_G_ZOLG401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 1ux6 THROMBOSPONDIN-1
(Homo
sapiens) 		4 / 7 ASP A 854
ASP A 845
GLN A 864
GLN A1012
 CA  A2009 ( 2.3A)
CA  A2010 ( 2.7A)
CA  A2009 ( 4.9A)
None
 1.49A 6g31G-1ux6A:
undetectable		 6g31G-1ux6A:
10.92
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.
6HD6_B_STIB601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 1vq7 50S RIBOSOMAL
PROTEIN L30P
(Haloarcula
marismortui) 		5 / 7 VAL W  35
ILE W  26
GLY W 127
ARG W  42
ALA W  53
 None
None
A  01098 ( 3.1A)
None
None
 1.17A 6hd6B-1vq7W:
undetectable		 6hd6B-1vq7W:
19.72