PDB ID: 6crz


Macromolecule:
SPIKE
GLYCOPROTEIN,FIBRITIN

Source Organism:
SARSr-CoV

Gene names:
2
S

UniProt ID:
P59594,D9IEJ2

SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '6crz'

1) User may click on the DrReposER ID (the first column) to get information on the binding sites and drug molecule.
2) Click View (the second last column) to view matched residues and superposition in the NGL viewer (upper right part).
3) User may also click on the Dock (the last column) to get script for molecular docking in UCSF Chimera through AutoDock Vina.

DrReposER ID / Desc. Drug Res.
Matches		 View Interface RMSD Seq.
Identity (%)		 HETATM 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.
4JBT_B_ASDB502_1
(CYTOCHROME P450
MONOOXYGENASE)		4-Androstenedione5 / 11
PHE A 870
ALA A 875
ALA A 874
VAL C1022
LEU A1016
1.42A16.67
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KPB_A_SAMA1000_0
(UNCHARACTERIZED
PROTEIN MJ0100)		S-Adenosylmethionine5 / 12
ASN C 122
ILE C 125
VAL C 114
ILE C 115
ILE C 117
1.48A7.77
NAG  C1302 (-3.1A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T6Z_B_RBFB596_1
(RIBOFLAVIN
KINASE/FMN
ADENYLYLTRANSFERASE)		Riboflavin5 / 11
THR C 716
ARG C1001
GLU C 999
LEU C 994
ILE C 752
1.47A12.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RIF_A_IVMA403_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 12
ILE B 724
SER B 717
ASN B 746
ASP B 719
GLY B 839
1.64A14.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JAF_A_IVMA503_0
(GLYCINE RECEPTOR
SUBUNIT ALPHAZ1)		Ivermectin6 / 12
VAL B 860
LEU B1045
ILE B 787
ILE B 800
LEU B 920
LEU B 803
1.70A14.30
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EKX_A_SAMA301_0
(NS5
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY C 862
GLY C 873
GLY C 871
GLY C 867
VAL B1050
1.01A12.28
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		Chloroquine4 / 7
GLY B 490
GLY B 391
TYR B 494
ASN B 424
1.24A11.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UYM_A_VORA590_1
(14-ALPHA STEROL
DEMETHYLASE)		Voriconazole4 / 7
PHE C 880
SER C1033
ILE C 704
PHE C1034
1.13A17.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P91_A_SAMA1401_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE A)		S-Adenosylmethionine5 / 11
LEU A 355
GLY A 326
TYR A 352
ILE A 345
LEU A 412
1.34A11.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U9F_A_CLMA221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol5 / 9
THR B 509
SER B 380
PHE B 379
SER B 346
PHE B 329
1.69A10.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2GL0_A_ADNA901_1
(CONSERVED
HYPOTHETICAL PROTEIN)		Adenosine5 / 10
ASN A 281
TRP A 619
ALA A 284
VAL A 581
TYR A 598
1.56A9.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVQ_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		Bortezomib5 / 9
ALA B 251
THR B  92
ALA B  91
ILE B  72
ALA B 249
1.53A10.70
10.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S56_A_ROCA201_2
(PROTEASE)		Saquinavir5 / 9
ARG B 965
LEU B 966
ASP B 976
GLY B 953
ILE B 962
1.57A6.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K37_A_BCZA468_0
(NEURAMINIDASE)		Peramivir5 / 12
ARG C1001
GLU B 999
ARG B1001
ALA A1002
GLU A 999
1.58A15.94
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Abiraterone4 / 5
LEU A 355
ASP A 385
GLU A 327
VAL A 510
1.70A16.76
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MWY_A_YNUA1101_0
(MINERALOCORTICOID
RECEPTOR)		Eplerenone5 / 12
LEU C 941
ASN C 942
SER C 985
LEU C 986
LEU C 948
1.35A12.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FCT_B_C2FB402_1
(THYMIDYLATE SYNTHASE)		Levomefolic acid3 / 3
ASN A 227
ASP A  85
GLY A  86
0.73A13.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UXQ_A_0LIA1752_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		Ponatinib5 / 12
ALA B 658
ILE C 826
LEU C 831
LEU B 597
ALA B 633
1.15A13.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RIA_A_IVMA348_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 12
SER A 985
ILE B 979
GLY B 739
LEU B 986
GLN B 987
1.46A14.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YKI_A_NFZA1219_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		Nitrofural4 / 8
TYR C 886
PHE C 888
ASN C 889
THR B1102
1.13A10.45
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZB7_A_NCAA901_0
(PROSTAGLANDIN
REDUCTASE 2)		Nicotinamide4 / 5
TYR A 723
ILE A 724
LEU A 959
LEU A 978
1.32A13.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JW2_A_017A401_1
(GAG-POL POLYPROTEIN)		Darunavir6 / 12
LEU C 831
ASP C 825
ASP C 850
ASP C 849
GLY B 655
ILE B 656
1.45A6.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U7S_A_017A202_2
(POL POLYPROTEIN)		Darunavir5 / 9
ASP C 825
ASP C 850
ASP C 849
GLY B 655
ILE B 656
1.45A6.05
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FXD_A_DR7A102_2
(POL PROTEIN)		Atazanavir4 / 7
ASP C 825
GLY B 655
ILE B 656
PRO C 844
0.95A6.05
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PSY_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA A 926
LEU A 804
ALA A1038
ILE A 916
LEU A1045
1.49A9.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZO1_X_T3X500_1
(THYROID HORMONE
RECEPTOR BETA)		Liothyronine5 / 12
ILE C 152
ALA C 237
ASN C  78
HIS C 149
PHE C 153
1.28A11.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TDR_A_MTXA170_2
(TELLUROMETHIONYL
DIHYDROFOLATE
REDUCTASE)		Methotrexate3 / 3
SER B 165
ILE B 117
THR B 146
0.83A9.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EJJ_C_NCTC501_1
(CYTOCHROME P450 2A6)		Nicotine4 / 5
PHE B 103
PHE B 187
ILE B 116
GLY B 100
1.32A17.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QQC_K_AG2K671_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE (EC
4.1.1.19) (PVLARGDC))		Agmatine4 / 8
ILE A 702
MET A1032
GLN A1018
LEU A 898
1.23A9.10
3.84
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MVM_A_PFLA510_1
(PROTON-GATED ION
CHANNEL)		Propofol5 / 9
ILE C 995
ALA A 998
ILE A 995
GLU A 999
LEU B 994
1.19A14.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HFJ_B_SAMB301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		S-Adenosylmethionine5 / 12
THR B 865
GLN B 877
SER A 690
THR A 693
TYR A 689
1.59A12.26
None
NAG  A1316 ( 4.4A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1C9S_T_TRPT81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		L-Tryptophan4 / 7
GLY A  77
ALA A 250
THR A 247
HIS A  74
1.25A4.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GCZ_A_SAMA4633_0
(POLYPROTEIN)		S-Adenosylmethionine5 / 12
GLY C 862
GLY C 873
GLY C 871
GLY C 867
VAL B1050
1.05A11.91
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XLS_A_9CRA801_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 12
ILE C 652
ALA C 676
ALA C 658
LEU C 636
ALA C 639
1.35A10.60
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NOO_A_D16A402_1
(THYMIDYLATE SYNTHASE)		Raltitrexed4 / 7
ASP A  85
LEU A 257
GLY A  86
PHE A 187
1.09A14.64
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V54_J_CHDJ3060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)		Cholic Acid4 / 6
LEU B  60
ARG B 183
THR B  92
LEU B 209
1.50A17.65
4.10
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OG9_A_TESA503_1
(-)		Testosterone5 / 9
VAL A 808
LEU A 927
ILE A 800
PRO A1039
ALA A1038
0.97A17.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CDU_E_EY4E500_0
(CHIMERIC ALPHA1GABAA
RECEPTOR)		Alfaxalone4 / 8
PRO B 791
ALA B 864
THR B 865
TYR A 689
0.87A13.32
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WVD_A_IVMA505_0
(BILE ACID RECEPTOR)		Ivermectin5 / 11
GLU B 131
ASN B 109
LEU B 132
ASN B 135
ILE B 117
1.46A9.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KP6_B_SALB3008_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		Salicylic acid4 / 7
GLU C 327
VAL C 354
VAL C 497
ALA C 384
1.44A9.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QWX_B_ML1B233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		Melatonin4 / 7
GLY A 953
GLY B 981
GLN B 984
PHE B 741
1.02A11.33
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ILT_H_TRUH800_1
(GLUTAMATE RECEPTOR 2)		Trichlormethiazide3 / 3
ILE C 905
SER C 701
SER C 703
1.09A11.78
None
NAG  C1313 ( 4.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RV7_B_AB1B1001_1
(PROTEASE)		Lopinavir5 / 11
ILE A  81
THR A 106
PRO A  28
ALA A  27
VAL A  25
1.29A5.83
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QX4_A_ML1A233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		Melatonin4 / 8
PHE B 329
ILE B 345
PHE B 325
GLY B 512
1.16A11.60
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OKC_A_SAMA500_0
(TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN)		S-Adenosylmethionine5 / 12
ALA A1060
GLY A1113
VAL A1111
ASN A 692
ARG A1089
1.42A16.56
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QT0_A_486A4_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Mifepristone5 / 12
SER C 957
ALA C 954
LEU C 959
ILE C 724
PHE B 558
1.60A12.65
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WA2_A_SAMA1248_0
(NON-STRUCTURAL
PROTEIN 5)		S-Adenosylmethionine5 / 12
GLY B 225
GLY B 192
LEU A 448
ASP A 454
ILE B 226
1.17A12.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MZ9_D_VDYD1001_2
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		Calcidiol3 / 3
LEU B 840
VAL B 718
LEU B 749
0.68A3.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZE2_A_T27A556_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		Rilpivirine5 / 10
ILE C 696
VAL C1076
TYR A 886
TRP A 868
LEU A 876
1.59A18.51
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Econazole4 / 7
ILE B 234
PHE B 238
ILE B  87
ALA B 250
1.13A19.87
None
Potential target for repurposing, i.e. matched protein structure has less than 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_B_SAMB3141_1
(PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine3 / 3
HIS C1065
ASP C1100
ASN A1101
1.03A12.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EXI_A_ADNA502_0
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
THR C 863
GLN C 883
GLY C1017
MET C 884
PHE C 880
1.49A17.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PCU_B_SAMB603_0
(CYSTATHIONINE
BETA-SYNTHASE)		S-Adenosylmethionine5 / 9
LEU A 421
PHE A 361
THR A 425
ILE A 428
ASP A 429
1.18A18.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YF9_B_NIOB401_1
(CASEIN KINASE II
SUBUNIT ALPHA')		Niacin4 / 7
VAL C 420
VAL C 496
PHE C 387
ILE C 405
1.08A13.38
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Galantamine5 / 12
GLY A 780
GLY A 781
TYR A 778
PHE A 784
TYR C 689
1.56A18.02
None
None
NAG  A1314 (-4.7A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIJ_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid4 / 6
LEU B  60
ARG B 183
THR B  92
LEU B 209
1.51A17.65
4.10
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WA2_B_SAMB1267_1
(NON-STRUCTURAL
PROTEIN 5)		S-Adenosylmethionine3 / 3
SER C 924
HIS C1040
ASP C 849
0.99A12.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JU6_A_LYAA317_1
(THYMIDYLATE SYNTHASE)		Pemetrexed5 / 11
PHE A  89
ASN A 230
ASP A  85
GLY A  86
PHE A 187
1.32A13.62
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C8B_A_0LIA1000_2
(RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2)		Ponatinib4 / 5
VAL B 763
ILE B 787
TYR B 855
ILE B 800
1.34A13.99
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HV1_A_RFPA902_1
(PHOSPHOENOLPYRUVATE
SYNTHASE)		Rifampicin5 / 12
VAL B 389
TYR B 481
LEU B 412
LEU B 478
ILE B 455
1.49A20.68
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HJH_B_NCAB901_0
(NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2)		Nicotinamide4 / 5
ILE B1114
PRO B1061
PHE B1071
VAL B1110
1.11A14.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6FNM_A_1N1A1001_1
(-)		Dasatinib5 / 12
VAL C 767
ALA C 765
MET C 851
LEU B 681
SER B 680
1.54A14.22
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1C9S_J_TRPJ81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		L-Tryptophan4 / 8
THR A1059
GLY A1113
ALA B 881
ILE A1112
0.98A4.85
None
None
None
NAG  A1310 (-4.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W3B_B_FOLB401_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE C  81
ALA C 233
LEU C 235
PHE C  69
ASN C  29
1.23A10.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2O4N_A_TPVA300_1
(PROTEASE)		Tipranavir5 / 12
ARG B 965
LEU B 966
ASP B 976
ILE B 975
ILE B 979
1.19A6.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ARU_A_PNXA606_1
(CHITINASE A)		Pentoxifylline4 / 7
PHE C 483
GLY C 391
TYR C 494
ARG C 495
1.38A19.39
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4I13_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE B 916
LYS B 911
THR B1048
ILE B 702
ILE B 704
1.39A9.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OU6_C_SAMC300_1
(SAM-DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine3 / 3
TYR C1029
GLY C1028
ASP C1023
1.13A10.11
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VKQ_C_PCFC1801_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		Colfosceril palmitate4 / 9
ILE C  87
TYR C 195
ILE C 234
LEU C 235
1.07A21.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YA7_A_ZMRA1776_2
(NEURAMINIDASE A)		Zanamivir4 / 6
ARG B 996
ILE C 995
LEU A 994
GLU A 999
1.20A18.87
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2TSR_A_D16A309_1
(THYMIDYLATE SYNTHASE)		Raltitrexed4 / 7
ASP A  85
LEU A 257
GLY A  86
PHE A 187
1.02A13.31
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z90_F_4LEF402_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		Isoflurane5 / 7
LEU B 421
ALA B 371
LEU B 355
ALA B 350
LEU B 499
1.44A15.26
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VDH_A_IVMA403_0
(GLYCINE RECEPTOR
SUBUNIT ALPHA-3)		Ivermectin5 / 12
THR C 760
SER C 712
ALA C 753
PRO C 845
LEU C 846
1.33A14.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ELZ_B_CHDB153_0
(ILEAL BILE
ACID-BINDING PROTEIN)		Cholic Acid4 / 6
ILE C 116
THR C 150
PHE C 153
PHE C 130
1.53A8.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EM3_B_478B200_2
(PROTEASE)		Amprenavir5 / 10
ALA B 406
ASP B 407
VAL B 404
VAL B 389
ILE B 405
1.37A6.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GLQ_A_RABA602_2
(ADENOSYLHOMOCYSTEINA
SE)		Vidarabine4 / 5
THR A 236
GLU A  93
THR A  92
HIS A  70
1.62A17.64
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ID5_A_T27A601_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		Rilpivirine5 / 12
VAL C 388
VAL C 337
TYR C 440
PRO C 493
PHE C 483
1.62A19.01
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		Cerulenin5 / 12
GLY A 839
SER C 556
PHE C 558
THR C 535
GLY A 726
1.31A17.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AY0_B_ADNB402_1
(UNCHARACTERIZED
PROTEIN MJ0883)		Adenosine5 / 10
TYR A 195
GLY A 192
ILE A 228
VAL A 114
LEU A 222
1.53A13.45
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NU9_A_478A401_1
(PROTEASE)		Amprenavir4 / 8
ASP C 825
GLY B 655
ILE B 656
PRO C 844
0.89A5.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEX_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		Kanamycin4 / 7
ASP A  57
GLU C 502
ASP A  44
GLU A  45
1.50A12.18
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		L-Histidine5 / 8
LEU C 983
GLN C 984
THR B 988
VAL C 990
LEU C 745
1.30A14.68
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S43_A_478A401_1
(PROTEASE)		Amprenavir5 / 9
ALA A 633
ILE A 656
ILE A 637
ILE A 584
ILE A 652
1.20A6.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CF9_B_NCAB302_0
(RIBOSOME-INACTIVATIN
G PROTEIN MOMORDIN I)		Nicotinamide5 / 9
ILE A 995
ILE C 995
ALA A 998
GLU C 999
ARG A1001
1.22A12.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG3_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 5
PHE C 325
PHE C 329
LEU C 499
PHE C 501
1.22A11.96
4.10
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N09_D_ADND401_2
(ADENOSINE KINASE)		Adenosine4 / 5
LEU A 538
SER A 561
LEU A 532
LEU A 519
1.17A15.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PEO_A_CU9A301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		Metocurine5 / 12
GLN C 396
VAL C 496
ILE C 405
TYR C 338
TYR C 481
1.74A10.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XJ7_D_ADND303_1
(5'/3'-NUCLEOTIDASE
SURE)		Adenosine5 / 10
LEU B 831
LEU B 823
ASP A 600
ALA A 654
PRO B 844
1.58A12.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VCE_A_RITA602_1
(CYTOCHROME P450 3A4)		Ritonavir5 / 12
PHE C1077
ILE C1063
PHE C1103
THR A 894
ALA A 885
1.26A17.88
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5J2T_C_VLBC503_1
(TUBULIN BETA-2B
CHAIN
TUBULIN ALPHA-1B
CHAIN)		Vinblastine5 / 9
VAL A 186
ASP A  85
TYR A  88
TYR A  41
LEU A 216
1.77A16.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LVC_B_ADNB501_2
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))		Adenosine4 / 5
GLN C 301
THR C 302
LEU C 636
LEU C 597
1.28A17.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6FBO_A_ADNA406_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		Adenosine4 / 8
HIS C 445
PRO C 466
SER A 111
SER A 113
1.63A16.87
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAL_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		Adenosine5 / 12
ASN B 951
ASP C 976
GLY B 953
ILE C 979
THR C 980
1.17A13.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6FCD_A_ADNA405_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		Adenosine4 / 8
HIS C 445
PRO C 466
SER A 111
SER A 113
1.64A16.02
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7W_B_SALB1300_1
(LYSR-TYPE REGULATORY
PROTEIN)		Salicylic acid5 / 10
THR B 678
ILE B 656
GLY B 655
HIS B 641
ILE C 826
1.53A9.87
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Salicylic acid4 / 7
GLU A  93
SER A 173
PHE A 238
ALA A 250
1.35A23.24
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YMG_A_SAMA1001_0
(PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE)		S-Adenosylmethionine5 / 12
TYR B  63
SER B 211
ALA B  90
GLU B 184
TYR B  88
1.59A11.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KBE_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		Adenosine5 / 12
ASN B 951
ASP C 976
GLY B 953
ILE C 979
THR C 980
1.18A13.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HXW_B_RITB301_1
(HIV-1 PROTEASE)		Ritonavir5 / 9
ASP C 825
ASP C 850
ASP C 849
GLY B 655
ILE B 656
1.42A6.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PCL_B_SAMB301_0
(O-METHYLTRANSFERASE
FAMILY PROTEIN)		S-Adenosylmethionine5 / 12
GLU C 452
GLY A 192
LYS A 221
ASN C 381
TYR C 383
1.36A9.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EL4_A_ROCA100_2
(PROTEASE)		Saquinavir5 / 9
VAL C 496
ILE C 397
ILE C 489
PRO C 493
THR C 425
1.61A5.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IJ7_D_TPFD2473_1
(CYTOCHROME P450 121)		Fluconazole5 / 10
THR B 320
SER B 568
PHE B 545
GLN B 550
ARG B 563
1.59A16.88
None
Potential target for repurposing, i.e. matched protein structure has less than 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_A_ACHA546_0
(ACETYLCHOLINESTERASE)		Acetylcholine4 / 8
TYR B 256
TYR B  30
PHE B 231
GLY B  77
1.44A17.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5C6P_A_4YHA601_1
(PROTEIN C)		Verapamil4 / 6
ALA C 857
SER C 861
ASP C 790
PRO C 791
1.16A17.76
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FHZ_C_REAC602_1
(ALDEHYDE
DEHYDROGENASE FAMILY
1 MEMBER A3)		Tretinoin5 / 10
ILE B 724
GLY B 726
LEU B 959
GLN B 987
LEU B 948
1.46A17.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VAV_H_CSCH1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		Cephalosporin C5 / 12
LEU A 749
THR A 716
TYR A 989
ARG B 747
VAL A 945
1.63A18.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1D4Y_A_TPVA501_1
(PROTEIN (HIV-1
PROTEASE))		Tipranavir6 / 10
LEU C 831
ASP C 825
ASP C 850
ASP C 849
GLY B 655
ILE B 656
1.53A6.27
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EHI_A_SAMA4001_0
(NS5
METHYLTRANSFERASE
DENGUE VIRUS)		S-Adenosylmethionine5 / 12
GLY C 862
GLY C 873
GLY C 871
GLY C 867
VAL B1050
0.99A12.28
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FM4_A_DXCA1002_0
(MAJOR POLLEN
ALLERGEN BET V 1-L)		Deoxycholic Acid5 / 12
VAL A 196
ILE A 116
TYR A 163
SER A 113
LEU A 194
1.62A9.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NMP_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 5
ILE C 905
LEU C 898
THR C1048
LEU C1031
1.22A17.65
4.10
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XKK_A_FMMA91_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Lapatinib5 / 12
MET C  37
THR C 215
GLY C 270
ASP C  50
ASP C 274
1.51A14.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DEB_B_MTXB303_1
(BIFUNCTIONAL PROTEIN
FOLD)		Methotrexate4 / 5
TYR A 738
GLN A 737
GLY A 726
ILE A 724
1.45A12.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O1Z_B_MXMB807_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		Meloxicam5 / 12
ILE B 800
VAL B1043
LEU B1045
ALA B 926
LEU B 920
1.41A18.68
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NJV_A_RITA500_2
(PROTEASE)		Ritonavir5 / 11
ASP C 825
ASP C 850
ASP C 849
GLY B 655
ILE B 656
1.44A5.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y69_C_CHDC1265_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 5
PHE C 325
PHE C 329
LEU C 499
PHE C 501
1.21A11.96
5.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JTP_A_ASCA802_0
(RRNA N-GLYCOSIDASE)		Vitamin C4 / 5
TYR A1049
ILE A 702
ASN A 699
ILE A 905
1.22A12.62
None
None
NAG  A1311 (-1.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MDA_A_RLTA403_1
(MARINER MOS1
TRANSPOSASE)		Raltegravir4 / 6
ASP C1100
ASP B1100
ASN B1101
ASP A1100
1.49A11.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z85_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
PHE C 325
PHE C 329
LEU C 499
PHE C 501
1.20A11.96
4.10
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OBW_D_SAMD601_0
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		S-Adenosylmethionine5 / 12
ALA B 654
GLY B 655
ILE B 652
MET B 679
GLY B 634
1.55A12.33
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LW1_H_ADNH401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 8)		Adenosine5 / 9
GLY A 512
VAL A 349
ASN A 528
VAL A 314
LEU A 515
1.46A15.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T7V_A_SAMA992_0
(METHYLORNITHINE
SYNTHASE PYLB)		S-Adenosylmethionine5 / 12
THR C 869
GLY C 871
GLY C 867
TYR C 886
ARG C 887
1.52A14.18
None
Potential target for repurposing, i.e. matched protein structure has less than 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_B_C2FB702_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		Levomefolic acid5 / 12
ARG C 544
GLY A 270
LEU C 532
PHE C 548
ILE C 570
1.22A13.25
NAG  A1302 (-4.1A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SOA_A_DB8A445_1
(CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE II
SUBUNIT ALPHA WITH A
BETA 7 LINKER)		Bosutinib4 / 6
MET C 884
PHE C 880
VAL C 860
PHE C 909
1.03A16.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LV9_A_20JA602_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		Diazoxide4 / 7
TYR A 494
VAL A 496
ILE A 397
ILE A 405
1.18A18.68
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HSH_C_MK1C402_1
(HIV-II PROTEASE)		Indinavir5 / 12
GLY B 867
ALA B 866
GLY B 873
PRO A 697
ILE A 696
1.05A6.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N09_C_ADNC401_1
(ADENOSINE KINASE)		Adenosine5 / 12
GLY A 655
GLY A 653
ALA A 658
LEU A 636
ASP B 757
1.26A15.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XDR_A_ADNA402_1
(FAD:PROTEIN FMN
TRANSFERASE)		Adenosine5 / 12
LEU A 355
VAL A 354
GLY A 326
ILE A 345
VAL A 382
1.24A14.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MXT_A_K5YA1401_0
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		Salmeterol5 / 12
ASP C1109
PHE C1071
ASN A 896
ILE C1114
TYR C1070
1.48A17.22
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VCV_L_ASDL1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		4-Androstenedione4 / 7
ALA A 250
ALA A  91
PHE A 185
PHE A  89
1.20A11.41
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HW8_H_FK5H201_1
(FK506-BINDING
PROTEIN 1)		Tacrolimus4 / 8
PHE A 153
VAL A 124
ILE A 125
ILE A 226
1.11A7.57
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3C_A_PNXA1435_1
(CHITINASE)		Pentoxifylline4 / 6
TYR B  42
PHE A 551
SER A 561
ARG A 563
1.28A16.60
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3B9M_A_SALA1200_1
(SERUM ALBUMIN)		Salicylic acid4 / 5
ILE A 852
TYR A 855
ARG A 761
GLY C 655
1.57A17.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K0B_B_SAMB504_1
(S-ADENOSYLMETHIONINE
SYNTHASE)		S-Adenosylmethionine4 / 8
PRO A 413
LYS A 411
ALA A 406
ASP A 414
1.60A17.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S68_A_SAMA228_1
(CATECHOL
O-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
ASN A  96
VAL A  98
ASN A 178
PHE A  89
ARG A 207
1.66A10.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E5J_A_017A201_1
(PROTEASE)		Darunavir6 / 12
LEU C 831
ASP C 825
ASP C 850
ASP C 849
GLY B 655
ILE B 656
1.62A6.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SN5_D_T3D602_1
(TRANSTHYRETIN)		Liothyronine5 / 12
LEU C 355
LYS C 343
GLU C 341
ALA C 384
VAL C 498
1.27A8.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TLS_A_C2FA266_0
(THYMIDYLATE SYNTHASE)		Levomefolic acid5 / 12
HIS A  74
ILE A  72
LEU A 235
GLY A  77
VAL A  97
1.52A12.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LL3_A_017A202_2
(PROTEASE)		Darunavir5 / 9
ALA B 406
ASP B 407
VAL B 404
VAL B 389
ILE B 405
1.38A6.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XIO_B_HFGB802_0
(PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE))		Halofuginone5 / 12
GLU A 762
VAL A 763
THR A1009
GLU A1013
THR C1009
1.46A16.76
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V01_A_0LIA1776_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		Ponatinib5 / 9
LEU B1031
VAL B1047
ILE B 905
TYR B1049
LEU B 898
1.66A13.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CX7_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		Sapropterin4 / 8
TRP A 101
PHE A 185
ARG A 183
ILE A 116
1.74A15.06
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GM7_B_PNNB1577_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		Benzylpenicillin4 / 8
SER A 673
SER A 582
ALA A 595
ILE A 584
1.22A12.49
19.20
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		Penicillamine4 / 5
LEU C 804
LYS C 929
GLN C 931
LEU C 930
1.63A2.53
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5QGR_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL B 601
TYR B 598
GLN B 599
0.87A9.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DZY_A_9CRA463_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 12
ILE A 125
ALA A 127
PHE A 161
ARG C 342
LEU A 224
1.32A16.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G24_A_ACAA1004_1
(PENTATRICOPEPTIDE
REPEAT-CONTAINING
PROTEIN AT2G32230,
MITOCHONDRIAL)		Aminocaproic Acid4 / 6
ALA B 940
ASN B 942
LEU B 944
VAL B 945
1.26A15.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZGF_A_BEZA210_0
(UNCHARACTERIZED
PROTEIN)		Benzoic Acid4 / 4
VAL C 934
ALA C 938
ASN C 942
GLN C 939
1.41A10.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TWJ_C_SAMC201_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE H)		S-Adenosylmethionine5 / 12
ILE C 650
ILE C 656
GLY C 653
LEU A 846
SER C 659
1.22A9.27
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Levomefolic acid5 / 12
GLY B  39
LEU B 194
GLY B  86
PHE B  59
ILE B  87
1.21A13.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UFN_A_ROCA401_2
(HIV-1 PROTEASE)		Saquinavir4 / 7
VAL C 389
GLY C 391
ILE C 489
VAL C 420
0.98A7.68
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CJT_K_SAMK302_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
SER C 750
LEU C 843
ILE B 650
LEU B 597
LEU B 636
1.46A12.06
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NP1_B_HSMB304_1
(NITROPHORIN 1)		Histamine3 / 3
ASP C 976
LEU C 735
LEU C 734
1.16A9.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RI5_A_IVMA349_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 13
ILE C 652
PRO C 651
ILE C 674
MET C 679
THR C 678
1.63A14.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RFM_A_CFFA330_1
(ADENOSINE RECEPTOR
A2A)		Caffeine4 / 7
VAL A 196
PHE A 103
LEU A 224
ILE A 125
1.27A13.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VKQ_A_PCFA1808_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		Colfosceril palmitate4 / 5
LEU B 355
ALA B 350
LEU B 322
LEU B 377
1.45A21.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BVW_A_1N1A1009_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		Dasatinib5 / 12
VAL C 510
ALA C 350
GLY C 418
LEU C 499
ALA C 384
1.17A14.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JFF_B_TA1B601_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
LEU C 224
PHE C 187
LEU C 194
ARG C 126
GLY C 100
1.24A17.64
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O1Z_A_MXMA807_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		Meloxicam5 / 12
ILE A 652
GLY A 634
ALA A 633
LEU B 831
LEU B 823
1.23A18.68
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X80_B_SALB203_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)		Salicylic acid4 / 6
PRO B 710
GLY B1041
LEU B 804
VAL B 708
1.48A9.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EM4_A_DR7A100_2
(PROTEASE)		Atazanavir5 / 9
ALA C 384
ASP C 385
GLY C 418
LEU C 377
VAL C 354
1.26A6.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABM_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 5
PHE C 325
PHE C 329
LEU C 499
PHE C 501
1.23A11.96
4.10
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QXT_A_MTXA2000_1
(ANTI-METHOTREXATE
CDR1-3 GRAFT VHH)		Methotrexate5 / 12
VAL B  80
ARG B 232
SER B 105
SER B 111
ARG A 449
1.66A7.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYS_A_VIBA501_1
(THIAMINE
PYRIDINYLASE I)		Thiamine5 / 10
SER C 500
THR A 160
TYR C 383
ASP C 385
LEU C 412
1.72A17.02
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N48_A_SAMA601_1
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		S-Adenosylmethionine4 / 5
ASN B 907
ALA B 906
GLY B 781
ASP A1109
1.36A16.90
None
None
None
NAG  A1319 (-3.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KHM_A_TPFA501_1
(STEROL 14
ALPHA-DEMETHYLASE)		Fluconazole4 / 8
TYR A  53
TYR A 266
ALA A 275
THR A 260
1.17A16.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OTV_A_NCAA1301_0
(CATIONIC TRYPSIN)		Nicotinamide4 / 6
ASP C1023
SER C1019
GLY C1026
GLY C1028
1.22A12.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2H9T_H_SVRH301_1
(THROMBIN)		Suramin5 / 11
PRO B 493
ARG B 426
VAL B 394
GLN B 396
GLY B 400
1.62A11.76
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4B17_A_SAMA1358_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M)		S-Adenosylmethionine5 / 12
SER A 500
GLY A 418
ASP A 376
ASP B 961
ASP A 414
1.39A16.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HW2_A_RFPA1200_1
(RIFAMPIN ADP-RIBOSYL
TRANSFERASE)		Rifampicin5 / 12
ALA A 866
GLY A 871
THR A 865
GLY C 682
LEU C 681
1.35A7.57
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EKQ_A_ROCA100_2
(PROTEASE)		Saquinavir5 / 9
LEU C 257
VAL C 254
ILE C  81
ILE C 228
ILE C  87
1.44A5.79
None
Potential target for repurposing, i.e. matched protein structure has less than 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_B_VIVB301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		Vitamin E5 / 12
LEU A 322
VAL A 382
VAL A 354
LEU A 355
PHE A 325
1.19A12.02
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S56_A_ROCA201_1
(PROTEASE)		Saquinavir5 / 12
GLY C 867
ALA C 866
GLY C 873
PRO B 697
ILE B 696
1.04A6.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K36_B_SAMB504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		S-Adenosylmethionine5 / 12
TYR C 598
GLN C 301
ASN C 304
VAL C 596
LEU C 636
1.56A14.57
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BPX_B_MK1B902_2
(HIV-1 PROTEASE)		Indinavir5 / 12
ALA B 406
ASP B 407
VAL B 404
VAL B 389
ILE B 405
1.33A6.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OTF_A_2TNA201_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		Atenolol4 / 5
LEU A 843
ILE C 299
SER C 582
GLY C 580
1.51A7.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JSE_A_1GNA608_1
(PHIAB6 TAILSPIKE)		Glucosamine3 / 3
THR B 644
SER B 645
TYR B 646
0.76A21.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UVV_A_T3A501_1
(THYROID HORMONE
RECEPTOR ALPHA)		Liothyronine5 / 12
ILE B 905
ALA B 906
ALA B 912
ILE B 704
PHE B 880
1.03A12.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HXH_B_TA1B601_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
LEU C 224
PHE C 187
LEU C 194
ARG C 126
GLY C 100
1.25A17.64
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W3A_B_TOPB1189_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim5 / 10
ILE A 116
ALA A 233
PHE A  83
ILE A 226
LEU A 224
1.64A10.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZBP_A_SAMA300_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY B 820
GLY B 839
LEU B 941
ASP B 719
LEU B 749
1.28A11.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N66_B_MTLB870_0
(NITRIC OXIDE
SYNTHASE)		Mannitol4 / 8
SER B 556
ASN C 838
PHE B 558
ASP B 560
1.38A15.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7K_A_SALA1302_1
(LYSR-TYPE REGULATORY
PROTEIN)		Salicylic acid5 / 11
THR B 678
ILE B 656
GLY B 655
HIS B 641
ILE C 826
1.39A9.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R20_B_AERB602_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)		Abiraterone5 / 9
ALA C 577
ILE C 637
VAL C 596
GLY C 634
VAL C 581
1.49A17.39
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PTH_A_SALA710_1
(PROSTAGLANDIN H2
SYNTHASE-1)		Salicylic acid4 / 7
VAL C 354
VAL C 382
ALA C 384
LEU C 499
1.05A18.84
None
Potential target for repurposing, i.e. matched protein structure has less than 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_B_TRPB81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan4 / 8
GLY A1113
ALA B 881
ILE A1112
THR A1059
0.96A4.85
None
None
NAG  A1310 (-4.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WGD_A_ESTA601_1
(ESTROGEN RECEPTOR)		Estradiol5 / 9
ALA C  91
LEU C 182
LEU C 209
ARG C  38
HIS C  70
1.79A12.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P6X_E_HCYE900_1
(GLUCOCORTICOID
RECEPTOR)		Hydrocortisone5 / 12
LEU B 859
GLY B 862
LEU B1016
ILE B 787
PHE B 784
1.36A11.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNH_B_9CRB502_1
(CYTOCHROME P450 2C8)		Alitretinoin5 / 10
SER A 914
ILE A 916
ILE A 800
LEU A1045
VAL A 860
1.38A16.83
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6FGC_A_D95A816_0
(GEPHYRIN)		Artesunate5 / 11
PHE C 529
LEU C 571
LEU C 532
ARG C 315
PRO C 565
1.66A16.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2RLF_A_RIMA199_1
(MATRIX PROTEIN 2)		Rimantadine4 / 6
LEU A 571
LEU A 519
ASP A 564
ILE A 570
1.66A2.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NED_A_PFNA709_1
(LACTOTRANSFERRIN)		Fenoprofen4 / 6
ASP C 849
SER C 712
ALA C1038
PHE C 805
1.46A14.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RIF_A_IVMA403_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 12
GLN B 630
ILE C 826
ASN B 602
ILE C 832
GLY C 824
1.58A14.94
NAG  B1309 ( 4.7A)
None
NAG  B1309 (-1.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AF0_A_PAUA314_0
(PANTOTHENATE KINASE)		Pantothenic acid4 / 8
ASP A 454
LEU A 448
GLY B 225
TYR A 410
1.41A12.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVW_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		Bortezomib5 / 11
ALA C 857
THR C 856
ALA C 854
GLY C 862
SER C 861
1.09A10.70
10.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WZE_A_BAXA1201_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		Sorafenib5 / 12
LEU A 194
ILE A 272
PHE A 187
GLY A  86
LEU A 264
1.32A13.60
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5QHB_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid4 / 4
VAL A 496
VAL A 389
TYR A 410
GLN A 396
1.53A9.70
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Raltitrexed5 / 12
PHE A  89
ASN A 230
ASP A  85
GLY A  86
PHE A 187
1.13A12.49
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Bedaquiline3 / 3
GLU A 131
ALA A 156
PHE A 157
0.68A5.60
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NQA_K_SAMK500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC)		S-Adenosylmethionine5 / 10
THR C 624
GLY C 638
VAL C 628
LYS C 672
ASN C 626
1.57A15.39
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BXN_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 11
GLN B 766
ALA B 866
GLY B 867
THR B 869
ASP A1023
1.61A11.13
10.78
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MB9_A_NMYA303_0
(AAC(3)-IIIB PROTEIN)		Framycetin5 / 10
TYR A 410
ASP A 385
ASP A 414
GLY A 418
ASP A 376
1.33A13.29
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4F4D_B_CHDB505_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid5 / 12
LEU C 983
LEU C 986
LEU C 749
SER C 717
THR C 841
1.45A14.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OU6_A_SAMA300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
ALA A 872
GLY A 873
GLY C1028
ALA A 866
TRP A 868
1.49A10.11
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IM2_A_BEZA401_0
(TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL)		Benzoic Acid5 / 12
PHE A 741
LEU A 745
LEU A 749
VAL A 990
GLN C 992
1.25A15.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MX0_A_BCZA513_0
(NEURAMINIDASE)		Peramivir5 / 12
LEU C 448
ARG C 453
TRP C 340
GLU C 452
ALA A 127
1.67A15.65
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		S-Adenosylmethionine5 / 12
PHE B 187
LEU A 448
GLY B 104
ILE B 116
PHE B 161
1.31A13.45
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NOO_C_D16C402_1
(THYMIDYLATE SYNTHASE)		Raltitrexed4 / 6
ASP A  85
LEU A 257
GLY A  86
PHE A 187
1.06A14.64
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CM4_A_8NUA2001_0
(D(2) DOPAMINE
RECEPTOR, ENDOLYSIN
CHIMERA)		Risperidone5 / 12
VAL B1015
THR B 863
PHE B 880
PHE B1034
THR B1048
1.68A17.64
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CLB_C_TMQC613_1
(DHFR-TS)		Trimetrexate5 / 12
VAL C  97
ALA C 237
THR C 150
ILE C 152
THR C 247
1.38A16.64
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GP2_A_DAHA126_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
BETA CHAIN)		Levodopa5 / 11
LEU C  52
THR C  51
GLY C 270
ILE C 272
PHE C 293
1.38A14.29
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LBG_A_ADNA402_1
(PROBABLE SUGAR
KINASE PROTEIN)		Adenosine5 / 10
THR C 923
SER C 919
GLU C 918
ILE C 800
ALA C 926
1.33A13.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WG7_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
PHE C 325
PHE C 329
LEU C 499
PHE C 501
1.24A11.96
4.10
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OAX_E_SNLE5001_1
(MINERALOCORTICOID
RECEPTOR)		Spironolactone5 / 12
LEU A 941
ASN A 937
ALA A 714
LEU A 843
LEU A 749
1.69A11.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MWZ_A_SAMA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		S-Adenosylmethionine5 / 12
TYR C 738
GLY C 981
ILE C 724
ARG C 977
LEU C 959
1.60A13.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2TSR_B_D16B409_1
(THYMIDYLATE SYNTHASE)		Raltitrexed4 / 8
ARG C  38
ASP C  85
LEU C 257
GLY C  86
1.11A13.31
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DTU_C_DXCC576_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		Deoxycholic Acid4 / 8
PRO A 651
ALA A 658
ALA A 676
ILE A 584
0.96A18.11
11.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YW7_B_GBMB2001_1
(ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8 ISOFORM X2)		Glyburide5 / 11
ARG C  48
ILE C 272
LEU C  52
LEU C  54
THR C 215
1.69A21.97
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W3A_A_TOPA1190_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim5 / 11
ALA B  91
PHE B  69
ILE B  81
PRO B  79
THR B  92
1.32A10.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NDN_A_SAMA407_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		S-Adenosylmethionine4 / 8
HIS C 445
PRO C 466
SER A 111
SER A 113
1.62A16.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BXF_B_DZPB2001_1
(SERUM ALBUMIN)		Diazepam5 / 12
LEU A 735
ILE A 724
ASN A 721
VAL A 718
LEU A 745
1.63A17.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KOE_F_TR6F101_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B
E-SITE DNA2)		Trovafloxacin4 / 6
SER A 574
GLY A 579
ASP A 600
GLY B 839
1.36A18.02
12.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5QHA_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL B 596
VAL B 583
GLN B 301
1.09A9.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LCA_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		Adenosine5 / 12
ASN B 951
ASP C 976
GLY B 953
ILE C 979
THR C 980
1.17A13.89
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Imatinib5 / 7
ILE A 244
MET A 144
GLY A 145
ARG A 232
ALA A 139
1.53A13.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HTU_A_BCZA801_0
(NEURAMINIDASE)		Peramivir5 / 12
GLU A 452
LEU A 448
ILE A 455
ARG A 453
ARG A 342
1.32A15.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OVF_B_DVAB2_0
(ACTINOMYCIN D)		L-Valine3 / 3
THR C 775
PRO C 774
THR C 773
1.36A0.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EKJ_C_ACTC3004_0
(BETA-CARBONIC
ANHYDRASE)		Acetic acid4 / 6
GLN B 396
ASP B 393
VAL B 496
GLY B 391
1.53A11.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T46_A_STIA3_2
(HOMO SAPIENS V-KIT
HARDY-ZUCKERMAN 4
FELINE SARCOMA VIRAL
ONCOGENE HOMOLOG)		Imatinib4 / 7
VAL A 254
VAL A 186
TYR A 200
ARG A 232
1.44A13.01
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XDK_B_9CRB600_1
(RETINOIC ACID
RECEPTOR, BETA)		Alitretinoin5 / 12
ALA B 633
LEU B 636
LEU B 597
ILE B 584
ILE B 299
1.15A12.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HSH_A_MK1A401_1
(HIV-II PROTEASE)		Indinavir5 / 12
GLY B 867
ALA B 866
GLY B 873
PRO A 697
ILE A 696
1.07A6.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QT2_A_RAPA202_1
(FK506-BINDING
PROTEIN (FKBP)-TYPE
PEPTIDYL-PROPYL
ISOMERASE)		Sirolimus5 / 10
PHE A 153
GLU A 162
VAL A 124
ILE A 116
PHE A 138
1.76A7.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		Theophylline4 / 8
LEU C 222
PHE C 161
ASN B 347
ILE C 164
1.35A15.52
None
None
None
NAG  C1302 ( 4.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DC3_A_ADNA401_2
(ADENOSINE KINASE)		Adenosine4 / 4
LEU B 377
ILE B 345
GLY B 512
PHE B 325
1.60A16.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Z71_C_PNVC904_1
(PENICILLIN ACYLASE)		Phenoxymethylpenicillin5 / 10
GLY B  68
GLN B  32
TYR B  30
ASN B  29
ASN B  65
1.60A14.83
None
NAG  B1301 (-3.5A)
None
None
NAG  B1301 (-1.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R29_B_SAMB301_0
(UNCHARACTERIZED
PROTEIN)		S-Adenosylmethionine5 / 12
ARG A  38
SER A  36
ALA A  91
PHE A 253
TYR A  88
1.53A12.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K8K_A_ADNA401_1
(SUGAR KINASE)		Adenosine5 / 12
ASN B 951
ASP C 976
GLY B 953
ILE C 979
THR C 980
1.17A13.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GHZ_A_CEDA301_1
(BETA-LACTAMASE)		Degraded Cephaloridine5 / 11
SER C 861
TYR B 689
THR C 863
GLY C 862
ALA C 866
1.62A12.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ASN_P_CHDP1271_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1)		Cholic Acid4 / 7
LYS C 344
PHE C 329
LEU C 499
PHE C 501
1.17A11.96
4.10
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM4_B_8PRB603_1
(TRANSPORTER)		Paroxetine5 / 12
TYR A 197
TYR A 266
TYR A  42
PHE A  59
THR A  55
1.48A17.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E1G_A_LNLA701_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		Alpha-Linolenic Acid4 / 5
ARG A 553
VAL B 945
LEU B 948
SER B 949
1.01A19.41
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5J7W_D_MTXD402_1
(THYMIDYLATE SYNTHASE)		Methotrexate5 / 12
GLU A 502
LEU A 499
GLY A 418
ILE A 345
ALA A 350
1.49A13.09
None
Potential target for repurposing, i.e. matched protein structure has less than 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_A_CL6A502_1
(CYTOCHROME P-450)		Clotrimazole4 / 5
ALA C  90
THR C  92
VAL C 205
ILE C 203
1.19A16.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XN5_A_FUNA1356_2
(THYROXINE-BINDING
GLOBULIN)		Furosemide3 / 3
LEU B 978
ARG B 977
ILE B 979
0.86A4.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_B_FOLB703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		Folic Acid5 / 12
VAL A 496
MET A 417
LEU A 412
VAL A 498
THR A 363
1.29A18.78
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IGT_A_SAMA1001_0
(SAM DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
PHE A1057
ALA B 872
ALA B 874
GLY B 867
GLY B 871
1.36A13.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2O4P_A_TPVA300_2
(PROTEASE)		Tipranavir5 / 9
LEU C 257
VAL C 254
ILE C 228
VAL C 186
ILE C  87
1.51A6.27
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7K_B_SALB1304_1
(LYSR-TYPE REGULATORY
PROTEIN)		Salicylic acid5 / 10
THR B 678
ILE B 656
GLY B 655
HIS B 641
ILE C 826
1.38A9.46
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Folic Acid3 / 3
ASP B 967
LEU B 966
ARG B 977
1.79A9.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJF_A_ADNA2001_1
(235AA LONG
HYPOTHETICAL
BIOTIN--[ACETYL-COA-
CARBOXYLASE] LIGASE)		Adenosine4 / 7
GLU A 755
ALA A1008
ASN A1005
ALA A1004
1.38A12.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EM2_A_SALA504_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR SAR2349)		Salicylic acid4 / 8
PHE B 138
GLY B 100
ILE B 116
ILE B 115
1.07A10.24
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HU9_T_PCFT101_0
(CYTOCHROME B-C1
COMPLEX SUBUNIT 1,
MITOCHONDRIAL
CYTOCHROME B-C1
COMPLEX SUBUNIT 9
CYTOCHROME B-C1
COMPLEX SUBUNIT
RIESKE,
MITOCHONDRIAL)		Colfosceril palmitate5 / 10
ASP C 727
VAL C 718
SER C 750
ALA C 754
ASN B 304
1.57A16.85
9.40
4.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2H42_B_VIAB902_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		Sildenafil5 / 12
HIS C  33
ALA C 251
VAL C  66
LEU C  60
ILE C  87
1.40A13.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q8J_B_C2FB802_0
(5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE)		Levomefolic acid5 / 12
ASN C 108
ILE C 115
GLY C 104
SER C 105
ASN C 230
1.45A18.76
None
None
None
NAG  C1304 ( 4.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3R9T_C_BEZC264_0
(ECHA1_1)		Benzoic Acid4 / 5
ALA B 854
GLU B 801
ALA B1037
MET B1011
1.45A12.33
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EIF_A_SAMA301_0
(GENOME POLYPROTEIN)		S-Adenosylmethionine5 / 12
GLY C 862
GLY C 873
GLY C 871
GLY C 867
VAL B1050
0.99A12.28
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KCN_B_MTLB806_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		Mannitol4 / 7
SER B 556
ASN C 838
PHE B 558
ASP B 560
1.38A15.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TBG_B_RTZB1_1
(CYTOCHROME P450 2D6)		Thioridazine5 / 12
LEU A 355
PHE A 361
PHE A 387
GLY A 418
ALA A 384
1.30A16.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ARQ_A_DM5A606_1
(CHITINASE A)		Idarubicin4 / 6
ASP A 429
TRP A 423
TYR A 494
ARG A 495
1.52A19.56
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DPM_A_SAMA300_0
(PROTEIN
(ADENINE-SPECIFIC
METHYLTRANSFERASE
DPNII 1))		S-Adenosylmethionine5 / 12
GLY A 867
GLY A 871
ALA A 875
PHE A 764
PRO A1035
1.31A13.65
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XZK_A_AG2A700_1
(PUTATIVE
NAD(+)--ARGININE
ADP-RIBOSYLTRANSFERA
SE VIS)		Agmatine4 / 7
TYR A 195
ARG C 449
PHE A 193
GLU C 502
1.66A12.66
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HNY_B_TA1B601_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel5 / 12
VAL A 124
GLU A 162
PHE A 130
LEU A 132
ARG A  18
1.45A16.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CG5_A_RISA400_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		Risedronate5 / 12
ASP A 171
ARG A 183
THR A 247
THR A 236
GLN A 147
1.40A15.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CSJ_B_CBLB211_0
(GLUTATHIONE
S-TRANSFERASE P)		Chlorambucil5 / 9
PHE C 483
GLY C 488
ARG C 426
TYR C 494
GLY C 391
1.57A9.83
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A6E_A_SAMA1349_1
(HYDROXYINDOLE
O-METHYLTRANSFERASE)		S-Adenosylmethionine3 / 3
TYR C 197
ASP C  57
ASP C  85
1.15A15.45
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NRR_B_D16B520_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		Raltitrexed5 / 12
ASP A 277
PHE A  62
THR A 215
SER A 211
THR A 260
1.27A17.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UQ6_A_ADNA401_1
(ADENOSINE KINASE,
PUTATIVE)		Adenosine5 / 12
ILE A 650
GLY A 655
GLY A 653
LEU A 636
ASP B 757
1.15A16.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RHW_A_IVMA348_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 12
GLN A 895
THR C1102
GLY C1075
THR C1087
PHE C1085
1.39A14.94
None
None
None
None
NAG  C1321 (-3.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DCO_B_TA1B601_1
(BOVINE BETA TUBULIN)		Paclitaxel5 / 12
LEU C 224
PHE C 187
LEU C 194
ARG C 126
GLY C 100
1.24A17.64
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W3M_A_FOLA1188_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE C  81
ALA C 233
LEU C 235
PHE C  69
ASN C  29
1.22A10.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1J8U_A_H4BA429_1
(PHENYLALANINE-4-HYDR
OXYLASE)		Sapropterin4 / 7
VAL C 860
LEU C 788
SER C 785
PHE C 784
1.06A14.91
None
None
NAG  C1317 (-3.5A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ASN_C_CHDC271_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1)		Cholic Acid4 / 7
PHE C 325
PHE C 329
LEU C 499
PHE C 501
1.23A11.96
4.10
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M2X_A_TMQA202_1
(DIHYDROFOLATE
REDUCTASE)		Trimetrexate5 / 12
ALA A 339
ARG A 342
PHE A 387
LEU A 412
ILE A 405
1.33A8.68
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JX1_B_CAMB502_0
(CAMPHOR
5-MONOOXYGENASE)		Camphor5 / 10
GLY A1106
VAL A1110
ASP A1109
ILE A1114
VAL A1111
1.44A14.57
None
None
NAG  A1319 (-3.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Y03_A_SALA801_1
(PROTEIN POLYBROMO-1)		Salicylic acid4 / 7
ILE B 584
LEU B 286
TYR B 300
ILE B 650
1.13A7.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AG0_C_ACRC608_1
(ALPHA-AMYLASE)		Acarbose3 / 3
TYR A1029
ALA B 874
LEU B 876
0.80A18.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEU_F_KANF301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		Kanamycin4 / 8
ASP A  57
GLU C 502
ASP A  44
GLU A  45
1.54A12.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NJG_B_SAMB302_0
(7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE)		S-Adenosylmethionine5 / 12
ASP C 560
THR C 539
GLU C 569
SER C 542
ASP C 554
1.56A10.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3V_A_TOPA193_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim4 / 5
LEU B 132
ILE B 234
PRO B 136
PHE B 137
1.52A10.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T3C_A_017A201_1
(HIV-1 PROTEASE)		Darunavir4 / 7
GLY C 638
ALA C 639
VAL C 642
ILE C 650
1.24A6.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DQE_B_017B101_1
(ASPARTYL PROTEASE)		Darunavir5 / 11
ALA B 406
ASP B 407
VAL B 404
VAL B 389
ILE B 405
1.36A6.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1L5M_A_NIOA991_1
(NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		Niacin5 / 9
GLY A  39
GLY A 255
LEU A 257
SER A  35
ARG A  38
1.56A14.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CTK_C_SAMC1263_0
(POLYPROTEIN)		S-Adenosylmethionine5 / 12
GLY C 862
GLY C 873
GLY C 871
GLY C 867
VAL B1050
0.99A12.28
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QHC_B_AB1B9001_1
(PROTEASE RETROPEPSIN)		Lopinavir5 / 11
ALA B 406
ASP B 407
VAL B 404
VAL B 389
ILE B 405
1.40A6.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IHT_A_SAMA200_0
(S-ADENOSYL-L-METHION
INE METHYL
TRANSFERASE)		S-Adenosylmethionine5 / 12
GLY C 638
ASN C 626
GLY C 625
ILE C 584
LEU C 636
1.05A9.22
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YAT_A_FK5A108_1
(FK506 BINDING
PROTEIN)		Tacrolimus5 / 11
TYR C 410
ASP C 385
ILE C 397
LEU C 499
PHE C 387
1.56A7.67
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2KI5_A_AC2A1_1
(PROTEIN (THYMIDINE
KINASE))		Aciclovir5 / 12
ILE A 694
ILE B 878
GLN B 883
MET B 882
TYR B 886
1.40A15.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ADM_B_SAMB500_0
(ADENINE-N6-DNA-METHY
LTRANSFERASE TAQI)		S-Adenosylmethionine5 / 11
VAL B 708
THR B 706
ILE B 852
ASP B 849
PHE B 805
1.40A16.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KPB_C_SAMC1000_0
(UNCHARACTERIZED
PROTEIN MJ0100)		S-Adenosylmethionine5 / 12
ILE A 234
VAL A 102
ILE A 115
ILE A 117
PRO A 136
1.56A7.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HTF_A_SAMA301_0
(S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
ARG A 761
GLY C 653
GLY C 655
LEU C 636
ALA C 633
1.44A11.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MZE_A_CFXA364_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		Cefoxitin5 / 12
ALA C 237
GLY C 100
ASN C  78
LEU C 235
THR C  20
1.53A14.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YGP_A_PCFA1213_0
(WNT INHIBITORY
FACTOR 1)		Colfosceril palmitate5 / 12
ILE C 916
ILE C 704
VAL C 860
VAL C1015
PHE C 784
1.42A9.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DWC_H_MITH1_1
(ALPHA-THROMBIN
(LARGE SUBUNIT))		Argatroban5 / 9
TYR A 622
TRP A 619
ILE A 674
GLU A 285
GLY A 587
1.58A11.76
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOG_C_C2FC302_0
(THYMIDYLATE SYNTHASE)		Levomefolic acid5 / 11
LEU C 182
ASP C 208
GLY C  68
PHE C  69
VAL C  66
1.63A12.41
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TUY_A_SAMA1505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		S-Adenosylmethionine5 / 12
SER B 336
TYR B 338
ASN B 479
TYR B 440
PHE B 483
1.77A11.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KI3_A_PE2A1_1
(THYMIDINE KINASE)		Penciclovir5 / 12
ILE A 694
ILE B 878
GLN B 883
MET B 882
TYR B 886
1.36A14.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KLR_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid4 / 8
LEU C 194
SER C 165
VAL C  98
GLY C 100
1.25A14.78
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PGH_D_FLPD701_1
(CYCLOOXYGENASE-2)		Flurbiprofen5 / 12
TYR C 410
TRP C 340
ALA C 384
SER C 500
LEU C 499
1.38A19.65
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2D55_C_DVAC2_0
(ACTINOMYCIN D)		L-Valine3 / 3
THR C 468
PRO C 466
PRO C 459
1.38A0.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUO_B_MTLB805_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		Mannitol4 / 8
SER B 556
ASN C 838
PHE B 558
ASP B 560
1.35A15.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OCU_A_TYLA3001_1
(LACTOTRANSFERRIN)		Acetaminophen3 / 3
LEU A 840
TYR A 723
GLY A 726
0.68A14.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K38_A_SAMA504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME
KP18CYS PEPTIDE)		S-Adenosylmethionine5 / 12
GLN C 599
SER C 582
LEU C 597
VAL C 596
LEU C 615
1.58A14.65
1.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QXV_B_MTXB2000_1
(ANTI-METHOTREXATE
CDR1-4 GRAFT VHH)		Methotrexate5 / 12
VAL C 763
ALA C1007
SER C 712
VAL C 708
ALA C1038
1.67A7.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6G6R_A_SAMA406_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		S-Adenosylmethionine4 / 7
PRO C 413
ASP C 415
SER A 956
ASP C 414
1.78A16.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JX1_E_CAME502_0
(CAMPHOR
5-MONOOXYGENASE)		Camphor4 / 5
TYR C 438
THR C 431
PHE C 483
ILE C 428
1.40A14.57
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E5J_A_017A201_3
(PROTEASE)		Darunavir3 / 3
ASP B 296
VAL B 290
LEU B 286
0.89A6.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DAT_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
LEU B1031
GLN B 895
VAL B 893
ILE B 905
PHE B 700
1.37A8.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGJ_A_1PQA304_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		Primaquine4 / 8
PHE C 779
ILE C 787
PHE C 880
GLY C 862
1.12A11.19
None
Potential target for repurposing, i.e. matched protein structure has less than 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_2
(HIV-1 PROTEASE)		Saquinavir3 / 3
ARG B  99
THR B 148
VAL B 140
1.23A7.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAH_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		Adenosine5 / 12
ASN B 951
ASP C 976
GLY B 953
ILE C 979
THR C 980
1.16A13.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R38_A_RBFA201_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		Riboflavin5 / 12
ALA C 732
ILE C 979
ASN C 960
LEU C 959
GLY C 726
1.40A7.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EMU_C_SAMC301_0
(TRNA
(GUANINE(9)-/ADENINE
(9)-N1)-METHYLTRANSF
ERASE)		S-Adenosylmethionine6 / 12
PRO C 493
ILE C 489
GLY C 488
THR C 485
VAL C 388
VAL C 389
1.39A9.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VIM_A_SAMA301_0
(METHYLTRANSFERASE)		S-Adenosylmethionine6 / 12
GLY C 862
GLY C 873
GLY C 871
GLY C 867
LYS B1027
VAL B1050
1.13A12.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTN_C_TRPC81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		L-Tryptophan5 / 10
SER A 591
ALA A 590
GLY A 298
THR A 585
ILE A 295
1.64A4.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EJG_A_NCTA501_1
(CYTOCHROME P450 2A13)		Nicotine4 / 7
PHE A 103
ASN A 189
PHE A 187
LEU A 224
1.21A17.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UAN_A_9CRA503_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 12
ILE B 652
ALA B 676
ALA B 658
LEU B 636
ALA B 639
1.39A14.31
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RI5_A_IVMA349_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 13
ILE C 455
THR A 106
ASN A 227
ILE A 226
PHE A 157
1.48A14.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EHG_A_SAMA301_0
(RNA-DIRECTED RNA
POLYMERASE NS5)		S-Adenosylmethionine5 / 12
GLY C 862
GLY C 873
GLY C 871
GLY C 867
VAL B1050
1.00A12.28
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KIJ_B_NOVB444_2
(DNA GYRASE SUBUNIT B)		Novobiocin3 / 3
ASP B 385
PHE B 329
VAL B 382
1.07A15.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5F8Y_A_X6XA203_1
(GALNAC/GAL-SPECIFIC
LECTIN)		Glucosamine5 / 9
HIS B1030
TYR B1029
GLY B1028
GLY B1026
HIS B1046
1.56A7.16
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DAJ_B_0HKB2000_2
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR M3,
LYSOZYME)		Tiotropium3 / 3
ASN A 901
LEU A1031
PHE A1091
0.82A17.40
NAG  A1311 (-3.5A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3I5U_B_SAMB401_1
(O-METHYLTRANSFERASE)		S-Adenosylmethionine3 / 3
ASP A 564
PHE A 529
SER A 561
0.99A13.64
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DZY_D_BRLD478_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Rosiglitazone5 / 12
TYR C 352
LEU C 355
VAL C 420
LEU C 412
MET C 417
1.57A15.80
None
Potential target for repurposing, i.e. matched protein structure has less than 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_ASDA451_1
(CYTOCHROME P450ERYF)		4-Androstenedione5 / 8
ASN B 526
GLY B 536
THR B 535
ALA B 609
LEU B 615
1.33A16.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZBR_A_NPSA603_1
(SERUM ALBUMIN)		Naproxen5 / 10
LEU A 843
LEU A 749
ALA A 753
LEU A 745
ALA A 748
1.34A19.30
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CX7_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		Sapropterin4 / 8
ARG A 183
ILE A 116
TRP A 101
PHE A 185
1.72A15.06
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Calcitriol5 / 12
TYR B  63
SER B  35
SER B  36
VAL B 205
HIS B  70
1.64A14.39
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5C8T_B_SAMB605_0
(GUANINE-N7
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 11
ASP C 600
ALA C 633
TYR C 598
ASN A 746
VAL C 581
1.54A16.48
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QD2_A_CHDA2_0
(FERROCHELATASE)		Cholic Acid4 / 8
LEU B 735
ARG B 982
SER A 303
VAL B 718
1.19A14.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6H7U_A_FVTA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)		Aminolevulinic acid4 / 6
VAL B1119
ASN B1117
ASN B1116
ILE B1115
1.42A18.11
None
None
NAG  B1321 (-1.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TVX_B_PNXB902_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4A)		Pentoxifylline4 / 7
ASN B 783
PHE B 880
MET B 884
PHE B 909
0.82A13.16
NAG  B1315 (-1.8A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CB8_A_SAMA501_0
(PYRUVATE
FORMATE-LYASE
1-ACTIVATING ENZYME)		S-Adenosylmethionine5 / 12
ASN A 318
ASP A 564
ASN A 530
ARG A 315
VAL A 314
1.62A11.45
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DC3_B_2FAB401_2
(ADENOSINE KINASE)		Fludarabine4 / 5
LEU A 132
ILE A 117
ALA A 156
PHE A 153
1.37A16.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5D4U_A_SAMA301_0
(UNCHARACTERIZED
PROTEIN MJ0489)		S-Adenosylmethionine5 / 12
LEU A1031
LEU A 859
GLY A 871
GLY A 890
PHE A 880
1.35A14.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2R5P_B_MK1B902_2
(PROTEASE)		Indinavir5 / 12
ALA B 406
ASP B 407
VAL B 404
VAL B 389
ILE B 405
1.37A6.44
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_A_MTXA603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		Methotrexate5 / 12
VAL C 601
ALA C 633
LEU A 843
SER A 717
THR C 631
1.44A18.33
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QDC_A_ASDA404_1
(3-KETOSTEROID
9ALPHA-HYDROXYLASE
OXYGENASE)		4-Androstenedione5 / 12
SER C1012
ALA C1008
LEU C1006
ASN C1005
PHE C1024
1.61A16.20
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HK2_A_T44A3003_1
(SERUM ALBUMIN)		Levothyroxine4 / 6
PHE B 782
ILE A1112
LYS B 903
ALA B 906
1.38A17.66
None
NAG  A1310 (-4.6A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WEY_A_EV1A1771_1
(CAMP AND
CAMP-INHIBITED CGMP
3', 5'-CYCLIC
PHOSPHODIESTERASE)		Papaverine5 / 12
LEU B 421
LEU B 499
VAL B 382
PHE B 334
PHE B 329
1.34A14.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5PHH_A_LDPA414_1
(LYSINE-SPECIFIC
DEMETHYLASE 4D)		Dopamine4 / 6
GLU A 730
ALA A 732
LEU A 734
SER A 728
1.29A14.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ASO_P_CHDP1271_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1)		Cholic Acid4 / 7
LYS C 344
PHE C 329
LEU C 499
PHE C 501
1.17A11.96
4.10
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RI5_A_IVMA349_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 13
ILE B 694
PRO C 879
THR C 865
ILE B 687
THR C 869
1.63A14.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q5S_A_ACHA1289_0
(MULTIDRUG-EFFLUX
TRANSPORTER 1
REGULATOR)		Acetylcholine4 / 6
VAL A 718
ASN A 746
TYR A 989
ILE A 752
1.54A13.85
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		S-Adenosylmethionine5 / 10
THR A 706
GLY A1026
ILE A 916
GLN A 915
SER A 703
1.18A13.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QLG_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA A 754
ASP A 757
LEU A 846
ILE C 584
LEU C 597
1.53A9.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UAN_B_REAB503_1
(RETINOIC ACID
RECEPTOR BETA)		Tretinoin5 / 12
ALA B 233
ILE B 117
ILE B 116
PHE B 187
VAL B  97
1.26A14.22
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SPK_A_TPVA100_2
(HIV-1 PROTEASE)		Tipranavir4 / 7
LEU C 776
ALA C 864
ILE B 687
THR C 775
1.05A5.37
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N0O_B_SAMB501_0
(PEPTIDE
N-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
ILE A 687
TYR B 771
GLY B 862
VAL B 767
ALA B 866
1.21A16.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EKT_B_017B200_2
(PROTEASE)		Darunavir5 / 9
ASP A 393
VAL A 389
GLY A 490
ILE A 489
ALA A 422
1.47A6.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V95_A_HCYA1375_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		Hydrocortisone5 / 12
ALA C 422
VAL C 496
GLN C 401
ILE C 405
ASP C 393
1.36A15.44
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F7F_A_NIOA601_1
(NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE, PUTATIVE)		Niacin4 / 6
PHE A 837
SER C 574
GLY C 536
THR C 535
1.25A18.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HJI_A_ADNA401_1
(TRNA
(GUANINE(37)-N1)-MET
HYLTRANSFERASE TRM5A)		Adenosine5 / 11
LEU B 224
PHE B 187
GLY B  86
ASN B 189
VAL B 196
1.31A14.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GH8_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA C 251
LEU C 182
SER C  35
ASN C 214
LEU C 216
1.49A9.65
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JW5_A_TOPA208_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim5 / 11
ALA C 250
ASN C  78
LEU C 235
GLU C  93
PHE C 238
1.33A8.30
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DNV_A_BEZA304_0
(SHKAI2IB)		Benzoic Acid4 / 5
GLN C1036
HIS C1046
ILE C 916
ILE C 704
1.52A12.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XI3_B_29SB601_2
(ESTROGEN RECEPTOR)		Bazedoxifene4 / 5
LEU A 859
GLU A 801
MET A 851
LEU A 847
1.62A11.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O0O_A_URFA303_1
(RRNA N-GLYCOSIDASE)		Fluorouracil4 / 5
TYR A 338
ASN A 479
TYR A 481
ILE A 405
1.69A12.62
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OK1_A_198A1001_2
(ANDROGEN RECEPTOR)		Bicalutamide4 / 8
LEU C 681
MET A1011
LEU A 859
ILE C 687
1.34A11.99
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VAV_K_CSCK1385_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		Cephalosporin C5 / 12
THR B 236
LEU B 235
TYR B 200
PHE B 238
VAL B 172
1.59A18.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ENH_A_FVXA602_1
(CHOLESTEROL
24-HYDROXYLASE)		Fluvoxamine5 / 12
LEU B1045
ILE B 800
ALA B 926
GLY B 928
THR B 706
1.08A16.67
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2P02_A_SAMA2_0
(S-ADENOSYLMETHIONINE
SYNTHETASE ISOFORM
TYPE-2)		S-Adenosylmethionine4 / 8
HIS C 445
PRO C 466
SER A 111
SER A 113
1.64A15.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q83_B_ADNB2_1
(YTAA PROTEIN)		Adenosine4 / 6
ILE C  81
PRO C 136
LEU C 235
ILE C 234
1.29A14.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3O1X_A_ADNA1450_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 1)		Adenosine5 / 10
ILE B 226
ASP A 454
ILE A 455
LEU A 448
SER B 105
1.33A7.08
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FJP_A_NPSA711_1
(LACTOTRANSFERRIN)		Naproxen4 / 6
GLY C 892
ASN C1090
TYR A 886
GLY A 890
1.22A14.44
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VAX_D_CSCD1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		Cephalosporin C5 / 12
THR B 236
LEU B 235
TYR B 200
PHE B 238
VAL B 172
1.52A18.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AYL_A_FLPA1701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		Flurbiprofen5 / 12
TYR C 410
TRP C 340
ALA C 384
SER C 500
LEU C 499
1.49A18.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ACB_C_DXCC1475_0
(TRANSLATION
ELONGATION FACTOR
SELB)		Deoxycholic Acid4 / 8
ILE C 125
ILE C 116
PHE C 103
VAL C 196
0.94A17.68
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BXM_A_IMNA2001_1
(SERUM ALBUMIN)		Indomethacin4 / 8
ALA C 331
PHE C 329
ALA C 384
LEU C 499
1.02A17.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EKX_B_SAMB4000_0
(NS5
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY C 862
GLY C 873
GLY C 871
GLY C 867
VAL B1050
1.01A12.28
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APX_A_Z80A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		Chlorpromazine5 / 12
PHE C 784
PHE C1034
LEU C1045
ALA C 912
PHE C 909
1.48A9.30
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K39_C_BCZC1001_0
(NEURAMINIDASE)		Peramivir5 / 12
ARG C1001
GLU B 999
ARG B1001
ALA A1002
GLU A 999
1.62A15.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RXH_A_HSMA7_1
(CATIONIC TRYPSIN)		Histamine4 / 5
ASP A 208
SER A  64
VAL A  66
GLY A  68
1.60A12.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PXX_A_DIFA701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Diclofenac5 / 10
TYR C 410
TRP C 340
ALA C 384
SER C 500
LEU C 499
1.58A19.41
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CSY_B_ACRB601_1
(4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC)		Acarbose5 / 12
GLN A 766
ARG C1021
GLU A1013
GLY A1017
HIS A1030
1.51A17.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KIA_D_SAMD3293_0
(GLYCINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
TYR C 771
ASP B1023
ALA C 857
SER C 861
LEU B 681
1.41A12.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Y0X_X_T44X500_2
(THYROID HORMONE
RECEPTOR BETA-1)		Levothyroxine4 / 5
SER C 798
ARG C 797
LEU C 803
ASN C 806
1.35A12.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3M7R_A_VDXA425_1
(VITAMIN D3 RECEPTOR)		Calcitriol5 / 12
LEU A 843
SER A 717
SER C 582
VAL C 601
GLN A 835
1.41A12.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QL8_B_BEZB143_0
(PUTATIVE REDOX
PROTEIN)		Benzoic Acid4 / 6
THR C 869
ALA C 866
ARG B1089
PRO B1051
1.65A8.28
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YQZ_B_SAMB401_0
(HYPOTHETICAL PROTEIN
TTHA0223)		S-Adenosylmethionine5 / 12
ILE C 826
ALA B 658
ALA B 639
LEU B 636
LEU B 597
1.17A12.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKT_B_TLFB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Tolfenamic Acid3 / 3
TYR B 622
TYR B 660
SER B 591
1.33A18.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MSS_B_STIB1_1
(TYROSINE-PROTEIN
KINASE ABL1)		Imatinib5 / 12
VAL C 510
ALA C 350
GLY C 418
LEU C 499
ALA C 384
1.15A13.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z84_C_CHDC307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
PHE C 325
PHE C 329
LEU C 499
PHE C 501
1.17A11.96
4.10
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OY0_1_PQN1842_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		Phylloquinone5 / 10
SER B  64
ARG B  38
ALA B  90
GLY B  39
ILE B 125
1.35A19.92
3.31
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q70_A_RITA2001_1
(CANDIDAPEPSIN-2)		Ritonavir5 / 12
ILE B1097
GLY B1075
ILE B1063
ASN C 889
ILE B 694
1.31A15.97
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GIQ_T_PCFT101_0
(CYTOCHROME B-C1
COMPLEX SUBUNIT 1,
MITOCHONDRIAL
CYTOCHROME B-C1
COMPLEX SUBUNIT 9
CYTOCHROME B-C1
COMPLEX SUBUNIT
RIESKE,
MITOCHONDRIAL)		Colfosceril palmitate4 / 8
ASP C 727
SER C 728
GLY C 739
SER B 950
1.05A17.16
11.26
4.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XIW_B_AZMB402_1
(CARBONIC ANHYDRASE,
ALPHA TYPE)		Acetazolamide5 / 12
VAL B 537
THR B 604
THR B 608
VAL B 307
PRO B 309
1.55A11.74
None
NAG  B1309 (-4.0A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CD2_A_FOLA207_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA A 233
ILE A 116
PHE A 103
PHE A 220
LEU A 194
1.30A10.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TIW_B_OAQB302_0
(SULFOTRANSFERASE)		Oxamniquine5 / 12
PRO A1072
ILE A 696
ILE B 878
PHE A1057
THR B 869
1.22A11.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z7F_E_FOLE201_0
(FOLATE ECF
TRANSPORTER)		Folic Acid5 / 9
SER C 690
ALA A 885
TYR A 886
THR A 869
ASN C1056
1.58A10.29
None
None
None
None
NAG  C1320 (-1.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QLG_A_1N1A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		Dasatinib5 / 12
VAL C 510
ALA C 350
GLY C 418
LEU C 499
ALA C 384
1.18A11.53
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XZ5_C_ACHC1211_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		Acetylcholine4 / 8
THR C 988
GLN C 984
SER C 985
TYR A 738
1.62A11.06
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OGR_I_ADNI401_1
(CYCLIN-DEPENDENT
KINASE 9)		Adenosine5 / 9
ILE A 125
GLY A 104
VAL A 114
ALA A 127
ASN A 189
1.46A14.20
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MN8_A_HFGA603_0
(UNCHARACTERIZED
PROTEIN)		Halofuginone5 / 12
LEU C 927
PHE C 805
GLU C 801
THR C 760
SER C 712
1.49A17.22
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DC3_B_2FAB401_1
(ADENOSINE KINASE)		Fludarabine5 / 12
ASP A 719
GLY C 579
GLY C 580
THR A 841
ASN A 746
1.36A16.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H9U_B_ADNB438_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 10
THR C 863
GLN C 883
GLY C1017
MET C 884
PHE C 880
1.48A16.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RGF_A_BAXA465_2
(CYCLIN-DEPENDENT
KINASE 8)		Sorafenib4 / 7
LEU B 377
VAL B 510
LEU B 515
ASP B 351
1.23A15.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KQR_A_SAMA301_0
(METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY C 862
GLY C 873
GLY C 871
GLY C 867
VAL B1050
0.98A13.10
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGP_A_ERYA402_0
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		Erythromycin5 / 12
VAL B 763
ALA B1038
VAL B 711
LEU B 930
THR B 706
1.29A12.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V04_B_0LIB1771_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		Ponatinib5 / 12
VAL C 642
ALA C 639
LEU A 846
ALA C 658
ASP C 649
1.29A13.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GRM_A_DVAA6_0
(GRAMICIDIN A)		L-Valine3 / 3
ALA B 384
VAL B 498
TRP B 340
0.96A1.33
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LF7_K_6V8K305_0
(PROTEASOME SUBUNIT
BETA TYPE-1
PROTEASOME SUBUNIT
BETA TYPE-5)		Ixazomib5 / 11
ALA C 874
ALA C 872
GLY C 862
GLY C 867
ALA C 866
1.49A10.43
11.16
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2KOT_A_ANWA99_0
(PROTEIN S100-A13)		Amlexanox4 / 7
THR B 431
PHE B 483
THR B 485
ARG B 426
1.30A6.39
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WAU_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 5
PHE C 325
PHE C 329
LEU C 499
PHE C 501
1.22A11.96
4.10
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UMD_A_YMZA3801_1
(60S RIBOSOMAL
PROTEIN L28
28S RIBOSOMAL RNA
60S RIBOSOMAL
PROTEIN L4)		Mefloquine4 / 6
ALA C 872
PRO B1051
ASP B1023
TYR B1029
1.38A6.77
16.57
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KRH_B_SAMB900_1
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
2)		S-Adenosylmethionine4 / 4
ILE A 570
SER A 541
ASP A 564
ASP A 518
1.61A15.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OU6_B_SAMB300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
ALA A 872
GLY A 873
GLY C1028
ALA A 866
TRP A 868
1.51A10.11
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K37_B_SAMB504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		S-Adenosylmethionine5 / 11
GLU C 640
ASN C 627
LEU C 636
VAL C 596
LEU C 286
1.52A14.65
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WSV_B_THHB4001_0
(AMINOMETHYLTRANSFERA
SE)		Levomefolic acid5 / 12
LEU C1031
ILE C 702
VAL C1050
PHE C 782
LEU C 898
1.57A14.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J4V_D_SVRD301_1
(NUCLEOCAPSID PROTEIN)		Suramin5 / 11
GLY B 862
ALA B 872
GLN B 883
PRO B 774
ILE A 687
1.37A11.56
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JAF_A_IVMA503_0
(GLYCINE RECEPTOR
SUBUNIT ALPHAZ1)		Ivermectin6 / 12
VAL A 860
LEU A1045
ILE A 787
ILE A 800
LEU A 920
LEU A 803
1.69A14.30
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V96_A_ADNA502_2
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE)		Adenosine4 / 4
GLU A 707
THR A 705
THR A 923
LEU A 804
1.54A16.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2TSR_D_D16D609_1
(THYMIDYLATE SYNTHASE)		Raltitrexed5 / 9
ILE C  81
LEU C 235
GLY C  77
PHE C  69
THR C  92
1.68A13.31
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NKN_A_LOCA201_1
(NEUTROPHIL
GELATINASE-ASSOCIATE
D LIPOCALIN)		Colchicine5 / 12
GLY C 536
PHE A 837
LEU A 959
ARG C 306
THR C 533
1.46A9.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SFE_C_TMGC1_1
(SUCCINATE
DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR SUBUNIT,
MITOCHONDRIAL
SUCCINATE
DEHYDROGENASE
CYTOCHROME B560
SUBUNIT,
MITOCHONDRIAL)		Thiabendazole4 / 8
ILE A 752
MET A 713
ILE A1000
ARG A1001
1.41A12.49
9.84
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M6T_A_SAMA201_0
(RNA POLYMERASE
II-ASSOCIATED FACTOR
1 HOMOLOG, LINKER,
RNA
POLYMERASE-ASSOCIATE
D PROTEIN LEO1)		S-Adenosylmethionine4 / 4
ILE A 234
VAL A 114
VAL A 102
ARG A 232
1.46A9.53
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Raltitrexed5 / 12
ASN B 381
LEU C 224
GLY C 192
PHE C 193
ALA C 127
1.70A12.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UNM_E_DVAE2_0
(7-AMINOACTINOMYCIN D)		L-Valine3 / 3
THR B 693
PRO C 879
THR B1059
1.33A0.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKM_A_SAMA311_0
(NS5 METHYL
TRANSFERASE)		S-Adenosylmethionine6 / 12
GLY C 862
GLY C 873
GLY C 871
GLY C 867
LYS B1027
VAL B1050
1.15A12.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CCV_C_RFPC1205_1
(-)		Rifampicin5 / 12
GLN A 301
SER A 582
LEU A 597
PRO A 651
ILE A 299
1.72A21.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EIW_A_SAMA301_0
(NS5
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY C 862
GLY C 873
GLY C 871
GLY C 867
VAL B1050
0.99A12.28
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Sunitinib5 / 12
VAL C 510
ALA C 350
PHE C 325
GLY C 418
LEU C 499
1.12A14.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C6G_B_VD3B700_1
(CYTOCHROME P450 2R1)		Cholecalciferol5 / 12
MET C 709
LEU C 804
PHE C 764
ALA C1007
VAL C 763
1.40A15.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5A1I_A_ADNA407_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		Adenosine4 / 8
HIS C 445
PRO C 466
SER A 111
SER A 113
1.61A16.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IX9_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
LEU C 927
LEU C 920
GLN C 917
LEU C1045
VAL C1042
1.44A10.16
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NYR_B_SVRB401_3
(NAD-DEPENDENT
DEACETYLASE
SIRTUIN-5)		Suramin5 / 12
ARG B 126
ILE B 234
PHE B 153
ASN B 108
VAL B 114
1.66A11.99
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OTW_A_DB8A1101_2
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-3)		Bosutinib3 / 3
LEU C 322
LEU C 355
ASN C 375
0.80A14.45
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZV2_B_LEVB801_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1)		Lenvatinib5 / 12
GLY C  68
ALA C 250
VAL C  97
ALA C  91
ALA C 233
0.92A12.25
None
Potential target for repurposing, i.e. matched protein structure has less than 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_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		Abiraterone5 / 12
ALA B  90
PHE B  89
ALA B 251
VAL B  98
VAL B  97
1.08A16.76
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GSD_A_STRA401_0
(PROGESTERONE
5-BETA-REDUCTASE)		Progesterone5 / 12
ARG B  99
ILE B 116
ASN B 119
VAL B 124
ILE B 125
1.55A16.05
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C6M_A_SPMA501_1
(SPERMINE SYNTHASE)		Spermine5 / 11
TYR A 989
ASP A 719
VAL A 718
ASN A 746
GLN C 599
1.54A15.50
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Imiquimod4 / 7
LEU C 532
ILE C 573
THR C 559
PHE C 527
1.27A21.64
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ENT_C_MIYC901_1
(MULTIDRUG EFFLUX
PUMP SUBUNIT
ACRB,MULTIDRUG
EFFLUX PUMP SUBUNIT
ACRB)		Minocycline5 / 9
PHE B 231
GLY B 104
SER B 105
ASN B 227
ILE B 228
1.49A19.41
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VDI_A_IVMA403_0
(GLYCINE RECEPTOR
SUBUNIT ALPHA-3)		Ivermectin5 / 10
SER C 712
ALA C 753
PRO C 845
LEU C 846
ILE B 652
1.47A14.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PNJ_A_CHDA501_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid5 / 12
LEU A 736
LEU A 735
LEU A 983
LEU A 749
VAL A 990
1.34A13.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YVP_B_ACTB2002_0
(60-KDA SS-A/RO
RIBONUCLEOPROTEIN)		Acetic acid4 / 6
SER A 690
ALA A 688
THR A 693
ASN A1056
1.12A19.44
None
NAG  A1316 ( 4.9A)
None
NAG  A1316 (-1.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OPE_B_SAMB8_0
(PROBABLE
HISTONE-LYSINE
N-METHYLTRANSFERASE
ASH1L)		S-Adenosylmethionine5 / 9
ASP B 392
TYR B 491
TYR B 440
GLN B 396
ILE B 405
1.66A10.20
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WA2_B_SAMB1267_0
(NON-STRUCTURAL
PROTEIN 5)		S-Adenosylmethionine5 / 12
GLY A 726
GLY C 534
THR C 533
LEU C 532
ILE C 573
1.24A12.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AVO_B_MK1B902_2
(POL POLYPROTEIN)		Indinavir5 / 12
ALA B 406
ASP B 407
VAL B 404
VAL B 389
ILE B 405
1.36A6.27
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2GL0_C_ADNC903_1
(CONSERVED
HYPOTHETICAL PROTEIN)		Adenosine5 / 12
ASN A 281
TRP A 619
ALA A 284
VAL A 581
TYR A 598
1.57A9.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VW1_B_CVIB301_0
(PUTATIVE REGULATORY
PROTEIN)		Gentian Violet5 / 12
LEU B 132
ILE B 226
SER B 105
ILE B 152
LEU B 222
1.21A9.88
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LWC_A_NVPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		Nevirapine5 / 11
PRO A 540
LEU A 571
VAL A 525
GLY A 536
LEU A 519
1.57A19.22
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CZ7_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 12
GLN C 769
ALA C 872
GLY C 873
ALA C 875
THR C 869
1.51A11.05
10.78
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DDW_B_PXLB1005_1
(PYRIDOXINE KINASE)		Pyridoxal4 / 7
SER C 353
PRO C 324
GLY C 512
ASP C 351
1.13A13.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KQS_A_SAMA307_0
(GENOME POLYPROTEIN)		S-Adenosylmethionine5 / 12
GLY C 862
GLY C 873
GLY C 871
GLY C 867
VAL B1050
0.98A13.10
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M2X_E_TMQE202_1
(DIHYDROFOLATE
REDUCTASE)		Trimetrexate5 / 12
ILE B 704
ASP B 802
GLN B1036
PRO B 789
ILE B 913
1.37A8.68
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XUE_B_SAMB303_0
(CATECHOL
O-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY C1041
ILE C1000
SER C 712
GLN C 756
HIS C1040
1.42A10.91
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BWM_A_SAMA301_0
(CATECHOL
O-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY C1041
ILE C1000
SER C 712
GLN C 756
HIS C1040
1.41A10.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CDU_A_EY4A502_0
(CHIMERIC ALPHA1GABAA
RECEPTOR)		Alfaxalone4 / 7
ALA B 864
THR B 865
TYR A 689
PRO B 791
0.81A13.32
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Levomefolic acid5 / 12
VAL B 606
LEU B 615
VAL B 601
GLY B 579
ASN B 304
1.30A13.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W9S_E_TOPE1160_1
(DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003)		Trimethoprim4 / 8
ILE B 405
ILE B 397
PHE B 387
TYR B 481
1.10A8.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BXQ_A_P1ZA2002_1
(SERUM ALBUMIN)		Phenylbutazone5 / 12
LEU A 222
ILE A 228
SER A 113
ILE A 226
ALA A 127
1.31A17.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UZZ_B_ASDB501_1
(3-OXO-5-BETA-STEROID
4-DEHYDROGENASE)		4-Androstenedione4 / 8
TYR C1029
TYR C1049
TRP A 868
LEU A 876
1.25A13.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KF6_B_ACTB704_0
(FUMARATE REDUCTASE
FLAVOPROTEIN
FUMARATE REDUCTASE
IRON-SULFUR PROTEIN)		Acetic acid3 / 3
ARG A 306
GLY B 726
ASP B 727
0.94A19.16
12.99
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1X70_B_715B801_2
(DIPEPTIDYL PEPTIDASE
IV)		Sitagliptin3 / 3
PHE A  59
TYR A 266
TYR A  53
1.30A21.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K8C_A_ADNA401_1
(SUGAR KINASE)		Adenosine5 / 12
ASN B 951
ASP C 976
GLY B 953
ILE C 979
THR C 980
1.16A13.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1J3J_B_CP6B709_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		Pyrimethamine5 / 9
ALA B 139
PHE B 138
ASN B  78
ILE B 234
THR B 148
1.57A11.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CTK_A_SAMA1263_0
(POLYPROTEIN)		S-Adenosylmethionine5 / 12
GLY C 862
GLY C 873
GLY C 871
GLY C 867
VAL B1050
0.99A12.28
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Sunitinib5 / 10
VAL C 510
ALA C 350
PHE C 325
GLY C 418
LEU C 499
1.20A14.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ZOS_B_0LIB1000_2
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		Ponatinib5 / 9
LEU C 930
ILE A 752
LEU A 994
ILE C 995
MET C 713
1.43A14.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5A1I_A_SAMA405_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		S-Adenosylmethionine4 / 7
PRO C 413
ASP C 415
SER A 956
ASP C 414
1.76A16.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LTW_A_HLZA300_1
(ARYLAMINE
N-ACETYLTRANSFERASE
NAT)		Hydralazine4 / 6
PHE B  22
VAL B  97
THR B  71
PHE B  76
1.59A12.97
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2LBD_A_REAA500_1
(RETINOIC ACID
RECEPTOR GAMMA)		Tretinoin5 / 12
PHE B 325
LEU B 499
ILE B 345
SER B 386
GLY B 512
1.64A12.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T3S_A_9PLA1_1
(CYTOCHROME P450 2A13)		Pilocarpine5 / 9
PHE A 103
PHE A  83
ASN A 189
PHE A 187
LEU A 224
1.42A17.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y6O_A_1N1A1892_1
(EPHRIN TYPE-A
RECEPTOR 4)		Dasatinib5 / 12
ALA A 250
GLU A 174
TYR A 252
GLY A  77
LEU A 235
1.54A12.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BTF_F_GFNF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		Gatifloxacin4 / 7
SER B 964
ASP A 415
GLY A 531
GLU B  45
1.36A18.06
12.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4POO_B_SAMB301_0
(PUTATIVE RNA
METHYLASE)		S-Adenosylmethionine5 / 12
THR B 106
ASN A 457
ILE B 226
GLN B 112
ASN B 108
1.33A10.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DYR_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
LYS C 344
PHE C 329
LEU C 499
PHE C 501
1.12A11.96
4.10
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I9X_A_DB8A1001_1
(EPHRIN TYPE-A
RECEPTOR 2)		Bosutinib5 / 12
ALA A 422
LYS A 365
ILE A 397
TYR A 494
GLY A 391
1.40A13.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EL9_A_DR7A100_1
(PROTEASE)		Atazanavir4 / 8
ASP C 825
GLY B 655
ILE B 656
PRO C 844
0.78A5.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ITZ_B_LOCB502_1
(TUBULIN BETA-2B
CHAIN)		Colchicine5 / 12
ALA B 872
ASN A1090
THR A1087
ILE B 878
ILE A 694
1.30A16.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3M0W_J_P77J203_1
(PROTEIN S100-A4)		Prochlorperazine5 / 9
LEU C 538
ASP C 572
PHE A 837
ASP C 554
SER C 556
1.60A6.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3X2Q_C_CHDC304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
PHE C 325
PHE C 329
LEU C 499
PHE C 501
1.27A11.96
4.10
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGK_A_0TXA302_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		Chloroquine4 / 6
GLN C 883
PHE C 880
ILE C 878
PRO C 879
1.25A11.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4COX_A_IMNA701_1
(CYCLOOXYGENASE-2)		Indomethacin5 / 12
TYR C 410
TRP C 340
ALA C 384
SER C 500
LEU C 499
1.51A19.65
None
Potential target for repurposing, i.e. matched protein structure has less than 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_LSNA504_1
(CYTOCHROME P450 2C9)		Losartan4 / 8
ILE B 272
PHE B 213
PRO B  61
PHE B  62
1.19A16.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CE2_B_SVRB202_2
(-)		Suramin5 / 12
GLY C 862
GLY C 867
GLY C1017
TYR C 886
ASN B1090
1.38A6.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A9J_A_TYLA1188_1
(BROMODOMAIN
CONTAINING 2)		Acetaminophen4 / 5
VAL B1043
LEU B 804
LEU B 927
ILE B 916
0.99A9.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNH_A_9CRA501_1
(CYTOCHROME P450 2C8)		Alitretinoin5 / 11
GLY A1081
SER A1083
ILE A1115
ALA A1062
ILE A1086
1.31A16.83
None
NAG  A1317 ( 4.0A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A8I_B_C2FB401_0
(AMINOMETHYLTRANSFERA
SE)		Levomefolic acid5 / 12
ILE C 345
TYR C 352
VAL C 510
PHE C 329
TYR C 383
1.63A15.45
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1L7F_A_BCZA801_0
(NEURAMINIDASE)		Peramivir5 / 12
GLU A 452
LEU A 448
ILE A 455
ARG A 453
ARG A 342
1.30A15.24
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NMF_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
ILE C 203
LEU C 182
ARG C 207
THR C  31
1.45A17.65
4.10
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EBZ_A_DAHA123_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE,
BETA SUBUNIT)		Levodopa5 / 11
PHE C 741
LEU C 745
THR C 743
GLY C 739
ILE C 724
1.36A14.06
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PEV_C_ADNC501_2
(MEMBRANE LIPOPROTEIN
FAMILY PROTEIN)		Adenosine3 / 3
PRO B1072
VAL B1119
HIS B1065
1.45A15.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SMT_A_ACTA500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3)		Acetic acid3 / 3
PHE C 578
SER C 574
GLN A 835
1.31A17.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG4_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
PHE C 325
PHE C 329
LEU C 499
PHE C 501
1.23A11.96
4.10
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W98_B_P1ZB1358_1
(PROSTAGLANDIN
REDUCTASE 2)		Phenylbutazone4 / 6
ASP C  85
TYR C 195
PHE C 187
LEU C 194
1.21A13.83
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2GVC_B_MMZB501_1
(MONOOXYGENASE)		Methimazole3 / 3
ASN C 347
TYR C 383
SER C 380
1.26A17.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1BDW_B_DVAB8_0
(GRAMICIDIN A)		L-Valine3 / 3
VAL B 497
VAL B 420
TRP B 423
1.54A1.33
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5H3A_A_D16A401_1
(ORF70)		Raltitrexed4 / 7
PHE A  89
ASP A  85
GLY A  86
PHE A 187
0.97A11.44
None
Potential target for repurposing, i.e. matched protein structure has less than 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_D_RIMD101_0
(MATRIX PROTEIN 2)		Rimantadine5 / 9
GLY A 246
ALA A 250
SER A 248
VAL A 140
ALA A 237
1.46A1.64
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MDB_A_RLTA401_1
(MARINER MOS1
TRANSPOSASE)		Raltegravir4 / 6
ASP C1100
ASP B1100
ASN B1101
ASP A1100
1.37A11.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIL_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid4 / 6
LEU B  60
ARG B 183
THR B  92
LEU B 209
1.51A17.65
4.10
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VYW_D_SAMD401_0
(MNMC2)		S-Adenosylmethionine5 / 12
TYR C 383
GLY A 225
GLY A 192
ALA A 127
PHE C 451
1.20A13.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B1A_C_CHDC304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
PHE C 325
PHE C 329
LEU C 499
PHE C 501
1.24A11.96
4.10
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WSV_A_THHA3001_0
(AMINOMETHYLTRANSFERA
SE)		Levomefolic acid5 / 12
LEU C1031
ILE C 702
VAL C1050
PHE C 782
LEU C 898
1.55A14.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DZK_P_BEZP801_1
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		Benzoic Acid4 / 6
PHE B 952
SER B 956
ALA B 954
LEU B 959
1.47A11.94
0.41
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V54_C_CHDC3271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE III
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)		Cholic Acid4 / 8
LYS C 344
PHE C 329
LEU C 499
PHE C 501
1.11A11.96
4.10
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R38_A_RBFA201_2
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		Riboflavin5 / 8
ASN C 889
LEU C1031
VAL C 897
LEU C 898
ILE C 905
1.59A7.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DDR_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA A 754
ASP A 757
LEU A 846
ILE C 584
LEU C 597
1.52A9.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SP6_A_IL2A901_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA)		Iloprost5 / 12
PHE C  62
THR C  34
SER C  35
TYR C  88
VAL C  40
1.57A12.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZGF_A_TRUA300_1
(CARBONIC ANHYDRASE
II)		Trichlormethiazide5 / 12
ASN B 304
GLN B 301
LEU C 843
THR C 716
THR C 841
1.56A11.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JN3_A_JN3A130_1
(FATTY ACID-BINDING
PROTEIN, LIVER)		Ursodeoxycholic acid5 / 12
LEU B 377
LEU B 374
ALA B 371
ASP B 351
ILE B 345
1.48A8.31
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3THR_A_C2FA1100_0
(GLYCINE
N-METHYLTRANSFERASE)		Levomefolic acid4 / 6
HIS C 149
MET C 151
THR C  20
ARG C  18
1.28A12.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X7F_A_SAMA301_0
(PUTATIVE
O-METHYLTRANSFERASE
RV1220C)		S-Adenosylmethionine5 / 12
GLY C 871
VAL C1015
GLY C 862
GLY C 867
ILE B 687
1.09A11.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HSH_A_MK1A401_2
(HIV-II PROTEASE)		Indinavir5 / 9
ALA A 633
ILE A 656
ILE A 637
ILE A 584
ILE A 652
1.33A6.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2C12_C_SPMC1434_1
(NITROALKANE OXIDASE)		Spermine5 / 12
LEU B 377
VAL B 497
ALA B 384
LEU B 499
VAL B 420
1.45A16.05
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2KAW_A_SUZA91_1
(SEGMENT POLARITY
PROTEIN DISHEVELLED
HOMOLOG DVL-1)		Sulindac5 / 11
LEU A 898
ILE A 905
ILE A 702
VAL A1047
LEU A1031
1.12A6.11
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FI0_E_TRPE1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		L-Tryptophan4 / 7
GLY C1106
ILE C1114
VAL C1111
GLN A 895
1.13A14.56
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ICL_A_T27A601_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		Rilpivirine5 / 12
VAL C 388
VAL C 337
TYR C 440
PRO C 493
PHE C 483
1.64A19.01
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3D1Y_A_ROCA201_2
(HIV-1 PROTEASE)		Saquinavir5 / 9
LEU C 257
ILE C  81
ILE C 228
VAL C 186
ILE C  87
1.55A6.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JGL_B_SAMB301_1
(UBIE/COQ5 FAMILY
METHYLTRANSFERASE,
PUTATIVE)		S-Adenosylmethionine3 / 3
ASP B 429
ASN B 427
PHE B 329
0.93A12.67
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DEB_B_MTXB302_1
(BIFUNCTIONAL PROTEIN
FOLD)		Methotrexate5 / 12
GLN B 550
PHE B 545
SER B 541
ILE B 570
THR B 567
1.50A12.90
None
None
None
None
NAG  B1305 (-4.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XN6_A_T44A1370_1
(THYROXINE-BINDING
GLOBULIN)		Levothyroxine5 / 10
ALA C 753
GLN B 992
LEU C 994
LEU C 749
ARG C 747
1.52A16.32
4.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Y7Z_A_IREA401_0
(CYCLIN-G-ASSOCIATED
KINASE)		Gefitinib5 / 12
LEU A 377
VAL A 510
ALA A 350
GLY A 418
LEU A 499
1.42A12.84
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YA3_A_STRA1001_2
(MINERALOCORTICOID
RECEPTOR)		Progesterone4 / 4
LEU B 374
LEU B 355
SER B 353
LEU B 322
1.13A11.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S54_B_017B201_1
(PROTEASE)		Darunavir5 / 12
GLY B 867
ALA B 866
GLY B 873
PRO A 697
ILE A 696
1.06A6.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1L2I_B_CCSB417_0
(ESTROGEN RECEPTOR)		Carbocisteine4 / 6
PRO B 324
PHE B 325
LYS B 509
VAL B 349
1.63A11.87
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6I5Z_D_SAMD401_0
(O-METHYLTRANSFERASE
1)		S-Adenosylmethionine5 / 11
SER B 701
GLY B1028
ASP B1023
LEU C1016
VAL B1022
1.39A16.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QGZ_A_ADNA127_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 1)		Adenosine5 / 10
ILE B 226
ASP A 454
ILE A 455
LEU A 448
SER B 105
1.36A6.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KOC_A_SAMA401_0
(PAVINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY C 579
ASP C 605
VAL C 606
THR C 604
ALA C 633
1.11A14.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VKQ_A_PCFA1807_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		Colfosceril palmitate5 / 7
GLY B 634
LEU B 636
LEU B 286
ILE B 652
GLY B 653
1.35A21.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUN_A_MTLA805_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		Mannitol4 / 8
SER B 556
ASN C 838
PHE B 558
ASP B 560
1.32A15.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OA1_B_ADNB2005_1
(TRYPTOPHAN
HALOGENASE)		Adenosine4 / 7
GLY A 873
GLY A 871
ASP C1023
VAL C1050
1.20A18.08
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZGY_A_BRLA503_2
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		Rosiglitazone4 / 5
ILE A  87
ILE A 115
ILE A  81
LEU A 222
1.22A12.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5QGG_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid4 / 4
VAL A 496
VAL A 389
TYR A 410
GLN A 396
1.46A9.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VLM_D_CVID301_0
(REGULATORY PROTEIN
TETR)		Gentian Violet5 / 12
LEU B 421
VAL B 389
TYR B 410
ASP B 385
PHE B 387
1.44A8.53
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LFA_A_1N1A361_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		Dasatinib4 / 8
VAL A 767
GLU C1054
LEU A 876
LEU A1016
1.09A15.60
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CEO_B_T44B1395_1
(THYROXINE-BINDING
GLOBULIN)		Levothyroxine5 / 10
ALA C 754
GLN B 992
LEU C 994
SER C 750
ARG B 996
1.55A15.22
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1CQP_A_803A311_1
(ANTIGEN CD11A (P180))		Lovastatin5 / 10
LEU C 224
ILE C 125
TYR C 163
LYS C 198
VAL C 196
1.32A9.37
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IJD_B_C2FB314_0
(UNCHARACTERIZED
PROTEIN)		Levomefolic acid5 / 12
LEU C 636
VAL C 581
GLY C 580
ARG C 306
ILE C 610
1.31A13.26
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HXF_B_TA1B601_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
LEU C 224
PHE C 187
LEU C 194
ARG C 126
GLY C 100
1.25A17.64
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KOC_B_SAMB401_0
(PAVINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
PHE B1024
GLY B1028
SER C1012
VAL B1050
HIS B1046
1.33A14.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LIN_A_TFPA156_1
(CALMODULIN)		Trifluoperazine4 / 8
LEU A 222
ILE A 125
VAL A 123
ILE A 116
1.02A7.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z86_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
PHE C 325
PHE C 329
LEU C 499
PHE C 501
1.16A11.96
4.10
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MX1_D_THAD4_1
(LIVER
CARBOXYLESTERASE I)		Tacrine5 / 12
GLY B 587
SER B 591
LEU B 283
LEU B 286
ILE B 674
1.27A19.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J4V_A_SVRA301_1
(NUCLEOCAPSID PROTEIN)		Suramin5 / 11
GLY B 862
ALA B 872
GLN B 883
PRO B 774
ILE A 687
1.28A11.56
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DTL_A_BEPA205_1
(CARDIAC TROPONIN C)		Bepridil5 / 12
ILE C 704
PHE C1034
PHE C 784
PHE C 888
MET C 884
1.45A8.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E71_M_ASCM995_0
(MYROSINASE MA1)		Vitamin C4 / 7
ILE C 702
PHE C 782
PHE C 784
PHE C1034
1.08A17.24
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VDI_A_IVMA403_0
(GLYCINE RECEPTOR
SUBUNIT ALPHA-3)		Ivermectin5 / 10
THR C 760
SER C 712
ALA C 753
PRO C 845
LEU C 846
1.28A14.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X7Z_A_BHAA201_0
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)		Aminosalicylic Acid4 / 6
LEU B 804
VAL B1043
LEU B1045
VAL B 708
1.23A9.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EBP_D_DAHD123_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE,
BETA SUBUNIT)		Levodopa5 / 10
PHE C 741
LEU C 745
THR C 743
GLY C 739
ILE C 724
1.34A14.06
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Y2T_B_8LXB501_0
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Lobeglitazone5 / 12
LEU B 132
ARG B 232
TYR A 408
LEU A 448
ILE B 226
1.50A12.66
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UC3_A_486A801_1
(GLUCOCORTICOID
RECEPTOR)		Mifepristone5 / 12
ASN A 910
GLY A 781
PHE A 880
MET A 884
LEU A 898
1.60A11.65
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B1B_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
PHE B  89
ARG B  99
THR B 236
LEU B 235
1.35A17.65
4.10
None
Potential target for repurposing, i.e. matched protein structure has less than 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_A_GLYA715_0
(DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1)		Glycine4 / 6
GLY C 579
ASN C 304
ASP A 719
SER A 717
1.47A18.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TUI_B_CTCB405_0
(TETRACYCLINE
DESTRUCTASE TET(50))		Chlortetracycline5 / 12
GLY C1067
GLY C1106
PHE C1071
VAL C1111
ILE C1114
1.23A16.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EC8_C_SAMC4000_0
(GENOME POLYPROTEIN)		S-Adenosylmethionine5 / 12
GLY C 862
GLY C 873
GLY C 871
GLY C 867
VAL B1050
1.00A12.28
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N48_B_SAMB601_1
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		S-Adenosylmethionine4 / 5
ASN B 189
PRO A 450
GLY B 192
ASP A 393
1.33A16.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KOE_H_TR6H101_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B
E-SITE DNA4)		Trovafloxacin4 / 7
SER A 574
GLY A 579
ASP A 600
GLY B 839
1.39A18.02
12.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)		Erlotinib5 / 12
ILE C 826
ASN B 602
GLY B 634
ALA B 633
ASP B 600
1.27A17.90
None
NAG  B1309 (-1.8A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ZOS_A_0LIA1000_2
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		Ponatinib5 / 9
ILE C 228
ILE C 125
ILE C 115
MET C 107
ILE C 116
1.56A14.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TTG_A_SAMA1301_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1)		S-Adenosylmethionine5 / 12
SER B 336
TYR B 338
ASN B 479
TYR B 440
PHE B 483
1.79A12.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2RLF_D_RIMD499_1
(MATRIX PROTEIN 2)		Rimantadine4 / 6
ILE B 962
ARG B 977
LEU B 978
LEU B 966
1.40A2.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U5K_B_08JB2_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		Midazolam4 / 7
VAL B1043
LEU B 804
LEU B 927
ILE B 916
1.07A6.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N0T_B_SAMB501_0
(PEPTIDE
N-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY C1041
HIS C1040
VAL C 808
ALA C1037
PHE C 805
1.28A16.78
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UHB_C_RFPC1201_2
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		Rifampicin3 / 3
PHE C 558
ASP C 554
LEU A  54
0.98A22.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JAF_A_IVMA503_0
(GLYCINE RECEPTOR
SUBUNIT ALPHAZ1)		Ivermectin6 / 12
VAL C 860
LEU C1045
ILE C 787
ILE C 800
LEU C 920
LEU C 803
1.65A14.30
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BNI_A_ADNA602_1
(LYSINE--TRNA LIGASE)		Adenosine5 / 10
ASN B 155
PHE B 153
ALA B 156
GLU B 162
ILE B 117
1.50A17.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IEO_A_VDYA206_2
(CDL2.3A)		Calcidiol4 / 8
ILE A 650
LEU A 286
ILE A 295
LEU A 636
1.14A7.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CK2_C_IPHC101_0
(INSULIN A CHAIN
INSULIN B CHAIN)		Phenol4 / 4
ILE C 637
LEU C 615
HIS C 611
ALA C 609
1.25A2.83
2.24
None
Potential target for repurposing, i.e. matched protein structure has less than 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_A_FOLA703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		Folic Acid5 / 11
VAL A 496
MET A 417
LEU A 412
VAL A 498
THR A 363
1.39A18.78
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCQ_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
PHE C 325
PHE C 329
LEU C 499
PHE C 501
1.18A11.96
4.10
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WOZ_B_MN9B401_0
(N-ACETYLNEURAMINATE
LYASE)		N-Acetyl-D-glucosamine4 / 6
THR A 716
ASP A 719
TYR A 989
LEU A 986
1.15A14.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YDB_A_AZMA264_1
(CARBONIC ANHYDRASE
II)		Acetazolamide5 / 11
HIS A1030
HIS A1046
VAL A1047
PHE A 909
PHE A1034
1.25A11.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DDY_A_RBFA187_1
(LUMAZINE PROTEIN)		Riboflavin5 / 12
VAL A 642
ILE A 584
ALA A 595
ASN A 627
ILE A 637
1.25A10.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OEZ_B_STIB601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		Imatinib5 / 12
VAL C 763
ALA C1007
VAL C 934
ILE C1000
ALA C1038
1.25A11.53
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6FGC_A_ACTA810_0
(GEPHYRIN)		Acetic acid3 / 3
LEU B 788
SER B 785
PHE B 784
0.80A16.61
None
NAG  B1315 (-2.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JHO_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		Niacin5 / 9
GLY A  39
GLY A 255
LEU A 257
SER A  35
ARG A  38
1.60A14.81
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Camphor4 / 8
TYR B 352
LEU B 377
GLY B 418
VAL B 497
1.25A15.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CDU_G_EY4G501_0
(CHIMERIC ALPHA1GABAA
RECEPTOR)		Alfaxalone4 / 7
ILE A1086
VAL A1078
PRO A1072
ILE A 696
1.23A13.32
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V0M_C_KLNC1498_1
(CYTOCHROME P450 3A4)		Ketoconazole5 / 12
PHE A 179
SER A 239
LEU A 235
PHE A  76
ALA A 139
1.41A17.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3D4S_A_TIMA401_2
(BETA-2 ADRENERGIC
RECEPTOR/T4-LYSOZYME
CHIMERA)		Timolol3 / 3
THR A 148
SER A 141
PHE A 137
1.10A17.60
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Desipramine5 / 11
GLN A 550
ILE A 573
PHE A 529
LEU A 571
ASP A 564
1.49A17.26
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WZ1_A_SAMA601_0
(NS5
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY A 871
GLY A1017
TRP A 868
HIS C1030
ILE C 891
1.19A13.37
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1IBG_H_OBNH1_2
(IGG2B-KAPPA 40-50
FAB (HEAVY CHAIN)
IGG2B-KAPPA 40-50
FAB (LIGHT CHAIN))		Ouabain4 / 7
THR C 743
SER C 740
SER C 717
LEU C 843
1.53A11.32
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNK_A_ROCA401_1
(PROTEASE)		Saquinavir5 / 12
ALA A 384
ASP A 385
GLY A 418
VAL A 354
VAL A 328
0.75A5.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PG2_A_ADNA552_1
(METHIONYL-TRNA
SYNTHETASE)		Adenosine5 / 11
ALA B 577
GLY C 839
GLY B 579
ASP B 600
VAL C 718
1.26A19.05
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RG9_A_SAMA385_0
(S-ADENOSYLMETHIONINE
SYNTHETASE)		S-Adenosylmethionine4 / 8
PRO C  43
ASP C  44
THR B 559
PHE B 551
1.62A14.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SP9_B_IL2B901_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR DELTA)		Iloprost5 / 12
LEU B 745
VAL B 990
THR B 943
LEU B 840
VAL B 718
0.97A12.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XF1_B_ACTB1108_0
(C5A PEPTIDASE)		Acetic acid4 / 6
GLY C 192
ASN C 189
ILE C 226
PHE C 103
1.21A22.37
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EC8_A_SAMA301_0
(GENOME POLYPROTEIN)		S-Adenosylmethionine5 / 12
GLY C 862
GLY C 873
GLY C 871
GLY C 867
VAL B1050
1.01A12.28
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MRJ_A_ADNA300_1
(ALPHA-TRICHOSANTHIN)		Adenosine4 / 8
ILE C 995
ILE B 995
GLU B 999
ARG C1001
1.00A11.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KQW_A_RTLA135_0
(CELLULAR
RETINOL-BINDING
PROTEIN)		Vitamin A5 / 12
PHE C 782
THR C 894
VAL C 893
LEU C1031
ILE C 905
1.21A8.45
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HSG_B_MK1B902_1
(HIV-1 PROTEASE)		Indinavir5 / 10
ARG B  48
ALA B 275
VAL B  40
PRO B  43
ILE B 272
1.46A6.18
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Cholic Acid4 / 6
LEU B  60
ARG B 183
THR B  92
LEU B 209
1.54A17.65
4.10
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FHQ_A_SAMA301_0
(CATECHOL
O-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
VAL B 594
GLU B 285
TYR B 622
TYR B  63
ALA B 275
1.67A10.48
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Fluconazole4 / 7
TYR A 723
PHE C 578
GLY A 820
LEU A 941
1.09A18.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HBB_A_TMQA611_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		Trimetrexate5 / 10
ALA B 676
ILE B 652
PRO C 844
LEU C 831
ILE C 826
1.55A16.64
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_B_TFPB201_1
(PROTEIN S100-A4)		Trifluoperazine4 / 8
GLY B1026
ILE B 702
PHE B 784
PHE B1034
0.93A6.31
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NYR_B_SVRB401_1
(NAD-DEPENDENT
DEACETYLASE
SIRTUIN-5)		Suramin5 / 12
ALA C1069
ALA C1062
ILE C1112
PHE C1071
LEU A 898
1.44A11.99
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0D_C_MTXC604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		Methotrexate5 / 12
ALA C 251
LEU C 209
LEU C 182
SER C  35
LEU C 216
1.54A18.33
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OLT_A_SAMA501_0
(OXYGEN-INDEPENDENT
COPROPORPHYRINOGEN
III OXIDASE)		S-Adenosylmethionine5 / 12
THR C 943
ARG C 996
ILE C 752
ALA C 748
GLN B 992
1.42A16.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N5D_B_SAMB303_0
(METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU B 421
ALA B 422
TYR B 494
PHE B 334
ALA B 384
1.42A11.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_A_LYAA514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		Pemetrexed5 / 12
LEU B 927
ILE B 916
SER B 919
LEU B 920
LEU B 804
1.49A17.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IQQ_A_D16A402_1
(THYMIDYLATE SYNTHASE)		Raltitrexed4 / 7
ASP A  85
LEU A 257
GLY A  86
PHE A 187
1.09A14.64
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MVM_A_PFLA511_1
(PROTON-GATED ION
CHANNEL)		Propofol5 / 8
PRO A1072
ALA A1060
ILE A1063
ALA A1069
ILE A1114
1.39A14.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WA9_B_AXIB9000_1
(TYROSINE-PROTEIN
KINASE ABL1)		Axitinib5 / 12
VAL C 510
ALA C 350
GLY C 418
LEU C 499
ALA C 384
1.18A13.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIK_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid4 / 7
PHE B  89
ARG B  99
THR B 236
LEU B 235
1.30A17.65
4.10
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		Sapropterin4 / 8
SER C1012
VAL C1015
ALA C1007
PHE C 764
1.12A17.11
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EM6_A_017A200_1
(PROTEASE)		Darunavir4 / 8
ALA A 384
ASP A 385
GLY A 418
VAL A 354
0.56A6.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NNR_A_FK5A201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP2)		Tacrolimus5 / 12
PHE A 262
VAL A  40
ILE A 272
TYR A 266
PRO A 218
1.45A7.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EA1_A_TPFA470_1
(CYTOCHROME P450
51-LIKE RV0764C)		Fluconazole4 / 8
TYR B 352
PHE B 325
PHE B 361
LEU B 499
1.35A16.32
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UL4_A_SAMA803_0
(OXSB PROTEIN)		S-Adenosylmethionine5 / 12
ARG A 232
PHE A 138
GLY A 100
ILE A 125
GLU A 162
1.15A21.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PO0_A_NPSA602_1
(SERUM ALBUMIN)		Naproxen4 / 8
ALA C 926
GLY C 928
LEU C 927
LEU C 920
1.33A18.29
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Fusidic Acid4 / 4
ALA B 249
VAL B  97
ALA B 250
HIS B  70
1.79A10.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UQB_A_FK5A114_1
(UBIQUITIN-LIKE
PROTEIN SMT3,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		Tacrolimus4 / 8
PHE B 238
VAL B  97
ILE B 152
PHE B  76
1.22A9.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OAE_A_CLMA208_0
(GNAT SUPERFAMILY
ACETYLTRANSFERASE
PA4794)		Chloramphenicol4 / 4
ALA B 853
ALA B 854
ALA B 857
ALA B 858
1.25A8.83
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OG9_B_TESB502_1
(-)		Testosterone5 / 12
VAL A 808
LEU A 927
ILE A 800
PRO A1039
ALA A1038
0.97A17.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JNC_D_ACTD305_0
(CARBONIC ANHYDRASE 4)		Acetic acid4 / 5
ALA A1037
ALA A 853
ILE A 852
LEU A 847
1.18A12.76
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWP_A_AXIA601_1
(TYROSINE-PROTEIN
KINASE ABL1)		Axitinib5 / 12
VAL C 510
ALA C 350
GLY C 418
LEU C 499
ALA C 384
1.08A11.45
None
Potential target for repurposing, i.e. matched protein structure has less than 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_2
(VITAMIN D RECEPTOR)		Calcitriol4 / 7
LEU C 194
ILE C  87
TRP C 101
TYR C  41
1.22A14.48
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HNX_B_TA1B902_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel5 / 12
ASP C 385
LEU C 377
PHE C 379
THR C 509
ARG C 342
1.45A17.24
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OXV_B_478B200_2
(HIV-1 PROTEASE)		Amprenavir5 / 10
ALA A 406
ASP A 407
VAL A 404
VAL A 389
ILE A 405
1.38A6.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YP2_B_NCAB302_0
(RIBOSOME-INACTIVATIN
G PROTEIN MOMORDIN I)		Nicotinamide5 / 9
ILE A 995
ILE C 995
ALA A 998
GLU C 999
ARG A1001
1.22A12.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X1L_B_ADNB601_1
(METHIONYL-TRNA
SYNTHETASE)		Adenosine5 / 12
ALA A1037
ALA A1038
GLU A 801
ASP A 849
ILE A 852
1.44A18.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HBM_A_NVPA601_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		Nevirapine5 / 11
PRO A 540
LEU A 571
VAL A 525
GLY A 536
LEU A 519
1.56A19.01
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FUF_A_ACTA310_0
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		Acetic acid3 / 3
GLN B 987
THR B 988
THR B 991
0.79A10.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FHJ_D_TRPD1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		L-Tryptophan5 / 9
GLY C1106
VAL C1104
ILE C1114
VAL C1111
GLN A 895
1.68A14.53
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YF9_X_NIOX401_1
(CASEIN KINASE II
SUBUNIT ALPHA')		Niacin5 / 9
LEU A 355
VAL A 354
VAL A 328
ILE A 345
PHE A 325
1.19A13.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KMD_C_6UBC1304_1
(ION TRANSPORT
PROTEIN)		Amlodipine4 / 5
ILE C 687
LEU A1016
GLY A 871
PHE A 870
0.90A13.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6FCB_A_SAMA405_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		S-Adenosylmethionine4 / 8
HIS C 445
PRO C 466
SER A 111
SER A 113
1.66A16.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z85_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
PHE C 325
PHE C 329
LEU C 499
PHE C 501
1.20A11.96
4.10
None
Potential target for repurposing, i.e. matched protein structure has less than 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_A_MTXA164_2
(DIHYDROFOLATE
REDUCTASE)		Methotrexate4 / 4
ILE A 696
PHE A1057
ILE A 694
THR A 698
1.23A9.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MDR_B_GJZB506_1
(CHOLESTEROL
24-HYDROXYLASE)		Tranylcypromine4 / 6
ILE A 696
ALA A 695
ALA B 875
THR B 869
0.75A16.67
None