PDB ID: 4mds


Macromolecule:
3C-LIKE PROTEINASE

Source Organism:
SARSr-CoV

Gene names:
1a

UniProt ID:
P0C6U8

SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '4mds'

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.
5UUN_B_ACTB307_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		Acetic acid3 / 3
LEU A 205
ALA A 206
LEU A 242
0.65A22.22
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.
4UCK_A_SAMA2409_0
(RNA-DIRECTED RNA
POLYMERASE L)		S-Adenosylmethionine5 / 12
THR A  26
GLY A 146
GLY A  29
GLY A 120
THR A 175
1.41A23.57
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.
3ASN_P_CHDP1271_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1)		Cholic Acid4 / 7
LEU A  30
PHE A 150
PHE A 159
LEU A  32
1.26A21.85
10.81
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.
3QOW_A_SAMA417_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine3 / 3
THR A 135
ASP A 197
GLU A 240
1.18A22.06
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.
3TNE_A_RITA401_1
(SECRETED ASPARTIC
PROTEASE)		Ritonavir5 / 12
ILE A 281
ASP A 216
GLY A 215
GLY A   2
ILE A 213
1.32A24.39
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.
3VN2_A_TLSA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Telmisartan5 / 12
PHE A 181
HIS A 172
ILE A 136
LEU A 177
HIS A 163
1.67A21.73
None
None
None
None
23H  A 401 (-4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5QH1_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.93A21.40
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.
5X1B_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 5
LEU A  30
PHE A 150
PHE A 159
LEU A  32
1.31A21.85
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.
4FEV_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		Kanamycin4 / 7
ASP A 197
ASN A 203
GLU A 290
GLU A 240
1.51A22.96
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.
5X23_A_LSNA502_2
(CYTOCHROME P450 2C9)		Losartan3 / 3
LEU A 272
VAL A 204
ASP A 289
1.13A21.64
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.
2TSR_A_D16A309_1
(THYMIDYLATE SYNTHASE)		Raltitrexed4 / 7
ILE A 281
LEU A 268
PHE A 219
TYR A 237
1.32A21.35
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.
1C6Y_B_MK1B524_1
(PROTEIN (PROTEASE))		Indinavir5 / 11
ILE A 106
GLY A 109
ILE A 200
THR A 135
ILE A 136
1.37A17.06
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.
3ABM_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.34A20.23
21.85
23H  A 401 (-3.7A)
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.
2UXO_B_TACB1211_1
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR TTGR)		Tetracycline5 / 11
LEU A  30
VAL A  13
CYH A 160
VAL A 157
ILE A 152
1.59A21.54
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.
1IEP_A_STIA201_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL)		Imatinib5 / 12
TYR A 126
ALA A   7
GLU A 288
GLY A 149
ALA A 129
1.34A21.36
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.
4BZ6_B_SHHB700_1
(HISTONE DEACETYLASE
8)		Vorinostat5 / 12
ASP A 176
HIS A  41
HIS A 164
PHE A 181
GLY A 146
1.79A20.63
None
23H  A 401 (-3.7A)
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.
4EUZ_A_MEMA401_1
(CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1)		Meropenem5 / 12
ALA A 266
LEU A 220
ASN A 221
THR A 225
THR A 224
1.48A20.97
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.
4LU3_A_AZMA302_1
(CARBONIC ANHYDRASE
14)		Acetazolamide5 / 11
HIS A 246
VAL A 247
LEU A 262
LEU A 205
THR A 201
1.36A20.92
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.
3TBG_C_RTZC2_1
(CYTOCHROME P450 2D6)		Thioridazine5 / 10
THR A 225
LEU A 227
THR A 243
VAL A 247
VAL A 204
1.57A20.76
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.
1MZ9_D_VDYD1001_4
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		Calcidiol4 / 4
THR A  35
LEU A  89
VAL A  68
LEU A  67
1.45A9.40
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.
6ECE_C_DVAC3010_0
(VLM2
DODECADEPSIPEPTIDE)		L-Valine3 / 3
ALA A 206
PHE A 291
GLN A 299
1.53A21.90
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.
1IEP_B_STIB202_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL)		Imatinib5 / 12
TYR A 126
ALA A   7
GLU A 288
GLY A 149
ALA A 129
1.34A21.36
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.
4Z7F_A_FOLA201_0
(FOLATE ECF
TRANSPORTER)		Folic Acid5 / 12
LEU A 271
ASP A 229
ALA A 234
THR A 226
ASN A 221
1.60A18.53
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.
5L5Z_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		Bortezomib5 / 12
THR A  26
THR A  25
THR A  24
SER A 144
GLY A 143
1.32A20.26
22.15
None
DMS  A 402 (-4.4A)
DMS  A 402 (-4.2A)
23H  A 401 ( 3.7A)
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.
5M5K_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine4 / 4
GLN A 110
THR A 111
THR A 201
LEU A 250
1.32A19.76
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.
5XDH_B_DAHB60_1
(PUTATIVE CYTOCHROME
C)		Levodopa4 / 5
HIS A 164
ASN A  28
VAL A 148
LEU A 177
1.63A14.24
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.
4FEW_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		Kanamycin4 / 7
ASP A 197
ASN A 203
GLU A 290
GLU A 240
1.58A22.96
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.
2ITY_A_IREA2020_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Gefitinib6 / 12
LEU A 167
GLY A 170
VAL A 171
ALA A 173
GLU A 290
GLY A 195
1.48A21.55
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.
5O96_C_SAMC501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		S-Adenosylmethionine5 / 7
LEU A 253
SER A 254
LEU A 205
THR A 292
ALA A 206
1.36A21.47
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.
2OAX_D_SNLD4001_2
(MINERALOCORTICOID
RECEPTOR)		Spironolactone4 / 5
LEU A  87
LEU A  57
CYH A  85
THR A 175
1.73A22.71
None
None
DMS  A 403 ( 3.7A)
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.
3WG7_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.33A20.23
21.85
23H  A 401 (-3.7A)
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.
5QH5_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.89A21.40
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.
2ZB7_A_NCAA901_0
(PROSTAGLANDIN
REDUCTASE 2)		Nicotinamide4 / 5
ILE A 281
MET A 264
LEU A 287
LEU A 271
1.29A24.19
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.
5ESE_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Fluconazole5 / 8
TYR A 209
LEU A 208
ILE A 213
GLY A 215
LEU A 220
1.70A19.91
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.
5K4P_A_SORA611_0
(PROBABLE
PHOSPHATIDYLETHANOLA
MINE TRANSFERASE
MCR-1)		Sorbitol4 / 6
GLY A 174
THR A 175
TYR A 161
GLY A 179
1.14A22.22
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.
4OR0_A_NPSA602_1
(SERUM ALBUMIN)		Naproxen5 / 9
PHE A 219
ALA A 267
ALA A 266
LEU A 242
LEU A 220
1.65A19.55
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.
5QGX_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.93A21.40
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.
4QOP_C_HQEC503_1
(CATALASE)		Hydroquinone4 / 8
ILE A 200
TYR A 239
LEU A 242
PHE A 230
1.18A20.43
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.
2Y7W_B_SALB1300_1
(LYSR-TYPE REGULATORY
PROTEIN)		Salicylic acid5 / 10
THR A  25
PHE A  66
HIS A  41
PRO A  39
ILE A  43
1.50A21.61
DMS  A 402 (-4.4A)
None
23H  A 401 (-3.7A)
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.
3ABM_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.36A20.23
21.85
23H  A 401 (-3.7A)
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.
5B3S_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.35A20.23
21.85
23H  A 401 (-3.7A)
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.
7DFR_A_FOLA161_1
(DIHYDROFOLATE
REDUCTASE)		Folic Acid3 / 3
ASP A 216
LEU A 282
ARG A   4
1.72A18.39
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.
2W3B_B_FOLB401_1
(DIHYDROFOLATE
REDUCTASE)		Folic Acid3 / 3
GLU A 288
GLN A 299
ARG A 298
1.38A18.53
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.
5JNA_B_TORB302_1
(CARBONIC ANHYDRASE 4)		Topiramate5 / 12
ASN A 231
HIS A 246
VAL A 261
LEU A 205
THR A 201
1.52A20.76
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.
3VM4_A_IZPA1_1
(FATTY ACID
ALPHA-HYDROXYLASE)		Ibuprofen4 / 5
LEU A 227
PHE A 230
PRO A 241
ALA A 234
1.78A20.91
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.
3P6G_A_IZPA133_1
(FATTY ACID-BINDING
PROTEIN, ADIPOCYTE)		Ibuprofen5 / 12
ASP A  56
ARG A  60
ILE A  43
CYH A  44
ARG A  40
1.72A19.14
None
None
None
None
DMS  A 403 ( 4.2A)
Potential target for repurposing, i.e. matched protein structure has less than 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 A  91
VAL A  77
GLN A  74
0.96A21.40
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.
3FW3_A_ETSA302_1
(CARBONIC ANHYDRASE 4)		Dorzolamide5 / 12
ASN A 231
HIS A 246
VAL A 261
LEU A 205
THR A 201
1.57A20.76
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.
4J24_D_ESTD600_1
(ESTROGEN RECEPTOR
BETA)		Estradiol5 / 12
MET A 264
LEU A 253
ILE A 281
LEU A 282
LEU A 220
1.46A20.25
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.
2AVS_B_MK1B902_3
(POL POLYPROTEIN)		Indinavir5 / 12
ASP A 176
VAL A 104
GLY A 149
VAL A 114
ILE A 106
1.31A17.67
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.
3SUD_A_SUEA1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		Grazoprevir5 / 12
GLY A 120
GLY A 146
PHE A 140
ALA A 116
SER A 113
1.40A23.05
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.
5KC0_A_RBFA303_1
(RIBOFLAVIN
TRANSPORTER RIBU)		Riboflavin5 / 12
GLY A 275
ASN A 274
ALA A 266
ASN A 221
PHE A 223
1.61A22.41
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.
5M66_D_ADND502_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
THR A 111
GLN A 127
ASP A 289
GLU A 288
PHE A 291
1.71A19.76
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.
2PO7_A_CHDA501_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid5 / 12
LEU A 177
LEU A  86
LEU A  27
VAL A  42
VAL A  18
1.55A20.38
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.
5EF1_L_TRPL101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan4 / 8
SER A 144
GLY A 138
HIS A 172
ALA A 116
1.09A13.89
23H  A 401 ( 3.7A)
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.
2Q7L_A_TESA155_1
(ANDROGEN RECEPTOR)		Testosterone5 / 12
ASN A 119
LEU A  27
GLY A 143
VAL A 148
MET A 162
1.68A20.62
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.
1DMY_B_AZMB900_1
(MURINE CARBONIC
ANHYDRASE V)		Acetazolamide5 / 12
VAL A 261
TYR A 209
VAL A 247
LEU A 202
THR A 201
1.53A21.80
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.
3W1W_A_CHDA1502_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid5 / 12
MET A 276
LEU A 271
LEU A 287
SER A 284
VAL A 212
1.70A20.47
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.
5UTU_H_ADNH503_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine4 / 5
THR A 243
GLU A 240
THR A 199
LEU A 268
1.32A20.16
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.
4RZV_B_032B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		Vemurafenib4 / 5
ILE A  43
SER A  81
HIS A  80
ASP A  56
1.43A21.58
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.
4XLD_A_BRLA502_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Rosiglitazone5 / 12
GLY A  23
CYH A  22
LEU A  57
PHE A  66
LEU A  27
1.58A21.91
DMS  A 402 (-3.5A)
DMS  A 402 (-3.9A)
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.
4QWP_B_GCSB305_1
(CHITOSANASE)		Glucosamine3 / 3
GLY A 183
PRO A 184
GLN A 192
1.46A23.91
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.
5C0O_H_SAMH301_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)		S-Adenosylmethionine5 / 12
ALA A 116
GLY A 149
SER A 147
GLY A 146
LEU A  30
1.29A20.45
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.
2ZJ0_A_2FAA500_2
(ADENOSYLHOMOCYSTEINA
SE)		Fludarabine4 / 5
GLN A 110
THR A 111
THR A 201
LEU A 250
1.23A20.63
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.
4WS0_A_URFA301_1
(URACIL-DNA
GLYCOSYLASE)		Fluorouracil4 / 7
GLY A 146
TYR A 118
ASN A  28
HIS A 163
1.41A22.44
None
None
None
23H  A 401 (-4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FZG_A_SAMA300_0
(16S RRNA METHYLASE)		S-Adenosylmethionine5 / 12
HIS A  41
GLY A 146
LEU A  86
VAL A  20
GLN A  19
1.52A21.07
23H  A 401 (-3.7A)
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.
3V5V_A_ACTA511_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		Acetic acid4 / 4
ASN A 214
PHE A   3
SER A   1
GLN A 299
1.58A22.74
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.
5Z84_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.37A21.85
20.23
23H  A 401 (-3.7A)
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.
3TBG_B_RTZB1_1
(CYTOCHROME P450 2D6)		Thioridazine5 / 12
GLY A 143
LEU A  27
PHE A 140
ALA A 116
SER A 147
1.26A20.76
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.
3MZE_A_CFXA364_2
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		Cefoxitin3 / 3
SER A 147
SER A 144
HIS A 164
1.17A22.86
None
23H  A 401 ( 3.7A)
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.
1TT0_A_ACTA4901_0
(PYRANOSE OXIDASE)		Acetic acid4 / 6
THR A 292
GLN A 127
PHE A   8
ASN A 151
1.74A19.64
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.
1P93_C_DEXC3999_1
(GLUCOCORTICOID
RECEPTOR)		Betamethasone5 / 12
MET A  49
MET A  82
ARG A  60
LEU A  87
CYH A  85
1.76A19.88
23H  A 401 (-3.8A)
None
None
None
DMS  A 403 ( 3.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XZX_X_T3X500_2
(THYROID HORMONE
RECEPTOR BETA-1)		Liothyronine3 / 3
PHE A 181
ARG A  88
ASN A  84
1.17A23.17
None
None
DMS  A 403 (-4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SN0_B_T44B602_1
(TRANSTHYRETIN)		Levothyroxine4 / 7
LEU A 242
GLU A 240
ALA A 234
LEU A 272
1.15A17.06
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.
1E7B_B_HLTB4003_1
(SERUM ALBUMIN)		Halothane4 / 6
ASN A 133
GLY A 183
ALA A 173
LEU A 167
1.12A19.04
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.
5WEA_A_IPHA901_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 5
TYR A 182
LYS A 180
LEU A 177
GLU A 178
1.74A15.80
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.
5I71_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		Citalopram6 / 12
ALA A 173
TYR A 182
PHE A 140
LEU A 167
GLY A 149
VAL A 114
1.78A20.36
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.
4WRY_A_URFA302_1
(URACIL-DNA
GLYCOSYLASE)		Fluorouracil4 / 8
GLY A 146
TYR A 118
ASN A  28
HIS A 163
1.37A22.44
None
None
None
23H  A 401 (-4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MK4_A_CHDA503_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid5 / 10
LEU A 202
LEU A 205
LEU A 208
ILE A 249
VAL A 296
1.58A20.11
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.
5C0O_H_SAMH301_1
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)		S-Adenosylmethionine4 / 5
THR A 111
GLY A 109
GLU A 288
ASP A 295
1.67A20.45
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.
4QVP_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 12
THR A 135
GLN A 107
CYH A 128
ALA A 173
CYH A 160
1.39A20.26
23.45
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.
4O1E_A_C2FA3000_1
(DIHYDROPTEROATE
SYNTHASE DHPS)		Levomefolic acid3 / 3
LYS A 100
ASN A  95
ASP A 155
1.42A21.61
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_D_RIMD499_1
(MATRIX PROTEIN 2)		Rimantadine4 / 6
ILE A  43
ARG A  40
LEU A  87
LEU A  57
1.40A7.00
None
DMS  A 403 ( 4.2A)
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.
2EIL_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.36A20.23
21.85
23H  A 401 (-3.7A)
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.
1RUA_H_BEZH601_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		Benzoic Acid5 / 10
LEU A 177
GLY A 179
PHE A 181
GLY A 174
TYR A 161
1.77A22.86
20.97
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.
6AF6_A_GLYA507_0
(L-PROLYL-[PEPTIDYL-C
ARRIER PROTEIN]
DEHYDROGENASE)		Glycine3 / 3
TYR A 161
HIS A 172
MET A 165
1.25A23.31
None
None
23H  A 401 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WS1_A_URFA301_1
(URACIL-DNA
GLYCOSYLASE)		Fluorouracil4 / 8
GLY A 146
TYR A 118
ASN A  28
HIS A 163
1.42A22.44
None
None
None
23H  A 401 (-4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 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_1
(SAM DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine3 / 3
ASP A  48
ASP A 187
ASP A  56
1.04A22.78
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.
5QGY_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.94A21.40
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.
1STF_E_CCSE25_0
(PAPAIN
STEFIN B (CYSTATIN
B))		Carbocisteine5 / 10
GLY A 120
SER A 121
SER A 123
ALA A 116
SER A 147
1.61A20.50
17.23
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.
2VL2_B_BEZB1162_0
(PEROXIREDOXIN-5)		Benzoic Acid4 / 7
PRO A  39
THR A 175
GLY A 174
LEU A  30
1.23A21.75
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.
2BDM_A_TMIA503_1
(CYTOCHROME P450 2B4)		Bifonazole4 / 8
LEU A  32
VAL A  18
VAL A 148
VAL A 157
1.13A23.13
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.
5W97_C_CHDC302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.41A21.85
20.23
23H  A 401 (-3.7A)
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.
3I5U_B_SAMB401_1
(O-METHYLTRANSFERASE)		S-Adenosylmethionine3 / 3
ASP A 216
PHE A 219
SER A 284
1.60A24.59
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.
5B1B_C_CHDC307_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.34A20.23
21.85
23H  A 401 (-3.7A)
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.
3BJW_F_SVRF502_3
(PHOSPHOLIPASE A2)		Suramin5 / 12
VAL A  91
GLY A  79
LYS A  61
SER A  62
SER A  65
1.61A17.10
None
None
DMS  A 402 ( 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.
1OPJ_B_STIB4_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		Imatinib6 / 12
TYR A 126
ALA A   7
GLU A 288
PHE A 150
GLY A 149
ALA A 129
1.58A21.36
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.
4MJ8_C_SPMC201_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		Spermine4 / 7
ASN A 203
GLU A 290
TYR A 239
GLU A 240
1.79A17.82
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.
6NMF_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.33A20.23
21.85
23H  A 401 (-3.7A)
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.
3UQ6_B_ADNB401_2
(ADENOSINE KINASE,
PUTATIVE)		Adenosine4 / 5
LEU A 141
GLY A 143
PHE A 140
ASN A  28
1.45A20.25
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.
5KC4_A_RBFA201_1
(RIBOFLAVIN
TRANSPORTER RIBU)		Riboflavin5 / 12
GLY A 275
ASN A 274
ALA A 266
ASN A 221
PHE A 223
1.67A21.74
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.
2G78_A_REAA200_1
(CELLULAR RETINOIC
ACID-BINDING PROTEIN
2)		Tretinoin5 / 12
ILE A 213
ALA A 210
VAL A 296
VAL A 204
ARG A 131
1.49A18.18
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.
5QGU_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.98A21.40
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.
1I00_B_D16B409_1
(THYMIDYLATE SYNTHASE)		Raltitrexed5 / 9
ILE A 281
TRP A 218
LEU A 268
ASN A 221
TYR A 237
1.61A20.36
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.
1Q13_A_TESA501_1
(PROSTAGLANDIN-E2
9-REDUCTASE)		Testosterone4 / 6
TYR A 161
HIS A 163
GLU A 290
VAL A 171
1.72A22.28
None
23H  A 401 (-4.1A)
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.
5A06_A_SORA1343_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		Sorbitol4 / 6
ARG A  60
ASP A  48
ARG A  40
ILE A  43
1.66A22.46
None
None
DMS  A 403 ( 4.2A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YU9_B_1E8B1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Ibrutinib5 / 12
GLY A 170
VAL A 171
ALA A 173
LYS A 137
ASP A 197
1.49A20.96
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.
4FO4_B_MOAB502_1
(INOSINE
5'-MONOPHOSPHATE
DEHYDROGENASE)		Mycophenolic acid4 / 8
ASN A 151
THR A 292
MET A 130
GLY A 109
1.19A25.34
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.
5X19_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 6
LEU A  30
PHE A 150
PHE A 159
LEU A  32
1.29A21.85
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.
5IY5_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.36A21.18
20.23
23H  A 401 (-3.7A)
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.
1IKV_A_EFZA2000_1
(POL POLYPROTEIN)		Efavirenz5 / 9
LEU A  86
VAL A  20
TYR A  37
GLY A  29
LEU A  87
1.72A19.00
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.
4LXZ_A_SHHA407_1
(HISTONE DEACETYLASE
2)		Vorinostat5 / 12
HIS A  41
PRO A  39
GLY A 174
ASP A 176
GLY A 179
1.45A21.09
23H  A 401 (-3.7A)
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.
2WD9_C_IBPC1570_1
(ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL)		Ibuprofen5 / 10
TRP A  31
LEU A  75
VAL A  18
GLY A  29
THR A  35
1.60A19.29
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.
3ASO_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.37A20.23
21.85
23H  A 401 (-3.7A)
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.
2BR4_C_SAMC301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		S-Adenosylmethionine5 / 12
LEU A 177
LEU A  86
GLY A  29
TYR A  37
CYH A 117
1.41A22.96
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.
5QHC_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.98A21.40
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.
5B1B_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.33A20.23
21.85
23H  A 401 (-3.7A)
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.
4QA0_A_SHHA404_1
(HISTONE DEACETYLASE
8)		Vorinostat5 / 12
HIS A  41
GLY A 146
HIS A 163
GLY A 174
TYR A 161
1.60A22.30
23H  A 401 (-3.7A)
None
23H  A 401 (-4.1A)
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.
4FN9_B_STRB301_1
(STEROID RECEPTOR 2)		Progesterone5 / 12
LEU A 202
ASN A 203
LEU A 205
ALA A 206
THR A 111
1.33A21.32
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.
5D4N_C_ACTC201_0
(NITROGEN REGULATORY
PROTEIN P-II)		Acetic acid4 / 5
VAL A 125
VAL A  13
GLY A  11
PHE A 150
1.31A16.72
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.
2BXP_A_P1ZA3001_1
(SERUM ALBUMIN)		Phenylbutazone6 / 12
LEU A 208
PHE A 219
LEU A 205
ALA A 260
ILE A 259
ALA A 266
1.59A19.04
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.
3EEO_A_SAMA328_0
(MODIFICATION
METHYLASE HHAI)		S-Adenosylmethionine5 / 12
LEU A  30
GLY A  29
ASP A  33
ILE A  78
ASN A  95
1.23A17.54
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.
3S8P_B_SAMB500_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		S-Adenosylmethionine3 / 3
HIS A  41
SER A 147
ASN A 142
1.46A19.87
23H  A 401 (-3.7A)
None
23H  A 401 (-4.8A)
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.
2AXN_A_EDTA737_0
(6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
PHOSPHATASE 3
(6PF-2-K/FRU-
2,6-P2ASE
BRAIN/PLACENTA-TYPE
ISOZYME) (IPFK-2)
[INCLUDES: 6-
PHOSPHOFRUCTO-2-KINA
SE (EC 2.7.1.105)
FRUCTOSE-2,6-BISPHO
SPHATASE (EC
3.1.3.46)])		Edetic Acid5 / 12
PRO A 168
THR A 135
ASN A 133
GLY A 195
THR A 169
1.35A21.48
23H  A 401 ( 3.7A)
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.
5DPD_A_SAMA601_0
(PROTEIN LYSINE
METHYLTRANSFERASE 1)		S-Adenosylmethionine6 / 12
TYR A 101
LEU A  87
SER A  81
VAL A  36
VAL A  68
VAL A  20
1.77A19.02
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.
2XN3_A_ID8A1356_1
(THYROXINE-BINDING
GLOBULIN)		Mefenamic acid4 / 8
LEU A  57
LEU A  50
ASN A  51
ARG A 188
1.20A23.54
8.91
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.
1ONI_D_BEZD507_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		Benzoic Acid4 / 7
PHE A 219
ALA A 211
ILE A 259
TYR A 209
1.15A19.28
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.
4KYA_C_FOLC703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		Folic Acid5 / 10
VAL A  20
MET A 162
PHE A 181
LEU A  86
THR A  25
1.59A20.07
None
None
None
None
DMS  A 402 (-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.
4EYR_B_RITB301_1
(HIV-1 PROTEASE)		Ritonavir4 / 7
LEU A 253
ALA A 211
ASP A 216
ILE A 286
0.85A15.19
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.
5YW0_A_ACTA411_0
(UNCHARACTERIZED
PROTEIN KDOO)		Acetic acid3 / 3
LYS A  61
LEU A  57
ARG A  60
1.73A24.70
DMS  A 402 ( 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.
4ODO_A_FK5A205_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD)		Tacrolimus5 / 10
TYR A 209
LEU A 208
LEU A 250
LEU A 202
LEU A 271
1.40A19.46
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.
2HDN_J_TACJ5888_1
(ELONGATION FACTOR
EF-TU)		Tetracycline4 / 6
THR A  98
SER A  94
ASP A  33
VAL A  91
1.63A10.75
18.62
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.
3C7Q_A_XINA1172_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		Nintedanib6 / 12
LEU A 115
GLU A  14
VAL A 157
CYH A  16
GLY A  29
LEU A  30
1.67A22.19
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.
5QHF_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.91A21.40
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.
5B1A_C_CHDC304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
LEU A  30
PHE A 150
PHE A 159
LEU A  32
1.29A21.85
10.81
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.
3P73_A_ACTA275_0
(MHC RFP-Y CLASS I
ALPHA CHAIN)		Acetic acid3 / 3
ILE A 259
VAL A 212
ARG A 217
1.09A20.78
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.
6MDQ_A_TESA604_0
(SERUM ALBUMIN)		Testosterone4 / 8
ALA A 194
GLY A 170
LEU A 167
ALA A 173
0.99A17.47
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.
5QH9_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.92A21.40
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.
2EIM_W_CHDW1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
LEU A  30
PHE A 150
PHE A 159
LEU A  32
1.27A21.85
10.81
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.
1YMX_A_CFXA1001_1
(BETA-LACTAMASE
CTX-M-9)		Cefoxitin5 / 12
SER A 147
ASN A 119
SER A 144
GLY A 146
GLY A  29
1.64A20.87
None
None
23H  A 401 ( 3.7A)
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.
6NMF_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.30A20.23
21.85
23H  A 401 (-3.7A)
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.
1A27_A_ESTA350_1
(17-BETA-HYDROXYSTERO
ID-DEHYDROGENASE)		Estradiol5 / 12
VAL A  13
GLY A  15
MET A  17
VAL A 125
PHE A 150
1.48A21.15
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.
6NKN_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 6
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.35A20.23
21.85
23H  A 401 (-3.7A)
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.
4OLT_B_GCSB301_1
(CHITOSANASE)		Glucosamine3 / 3
GLY A 183
PRO A 184
GLN A 192
1.53A23.91
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.
2QBN_A_CAMA442_0
(CYTOCHROME P450-CAM)		Camphor5 / 7
PHE A 103
TYR A 101
THR A  98
VAL A  36
VAL A 148
1.73A20.97
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.
1V55_C_CHDC3271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE III
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)		Cholic Acid4 / 7
LYS A 269
LEU A 268
LEU A 208
PHE A 219
1.45A21.85
10.81
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.
5Y7Z_B_IREB401_0
(CYCLIN-G-ASSOCIATED
KINASE)		Gefitinib5 / 12
GLU A  14
LEU A 115
LEU A 177
LEU A  32
CYH A  16
1.35A20.47
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.
4NJV_D_RITD500_1
(PROTEASE)		Ritonavir5 / 11
ILE A 106
GLY A 109
ILE A 200
THR A 135
ILE A 136
1.28A15.36
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.
3LP9_D_SPMD230_1
(LS-24)		Spermine3 / 3
GLU A 240
GLU A 290
ASN A 203
1.57A20.00
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.
4G1Q_A_T27A601_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		Rilpivirine5 / 12
PRO A  99
LEU A  32
VAL A  91
VAL A  18
TYR A  37
1.79A18.74
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.
4UCI_A_ADNA2414_1
(RNA-DIRECTED RNA
POLYMERASE L)		Adenosine4 / 6
PHE A 181
ARG A 105
TYR A 182
HIS A 134
1.78A21.02
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.
6HQB_A_PQNA2001_0
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		Phylloquinone5 / 10
MET A 276
TRP A 218
ALA A 211
LEU A 282
GLY A 283
1.74A17.65
10.07
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.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		Penicillamine4 / 5
LEU A 271
GLN A 273
LEU A 268
GLU A 270
1.59A6.60
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.
4IB4_A_ERMA2001_2
(CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 2B AND E.
COLI SOLUBLE
CYTOCHROME B562)		Ergotamine4 / 7
THR A  26
LEU A  89
GLN A  83
LEU A  86
1.31A20.70
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.
3IB2_A_IBPA3960_1
(LACTOTRANSFERRIN)		Ibuprofen4 / 4
GLY A 138
VAL A 114
GLY A 174
THR A 175
1.16A24.19
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.
5A5Z_C_WJZC304_0
(BETA-LACTAMASE NDM-1)		Tiopronin4 / 7
HIS A  41
CYH A 145
GLY A 174
HIS A 163
1.55A19.47
23H  A 401 (-3.7A)
23H  A 401 (-3.3A)
None
23H  A 401 (-4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 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  58
LEU A  86
LEU A  30
VAL A 148
VAL A  20
1.41A21.91
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.
6NMP_P_CHDP302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.36A20.23
21.85
23H  A 401 (-3.7A)
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.
5UBB_A_SAMA301_1
(ALPHA N-TERMINAL
PROTEIN
METHYLTRANSFERASE 1B)		S-Adenosylmethionine4 / 5
GLY A 179
ARG A  40
ASP A 176
GLN A 107
1.40A22.78
None
DMS  A 403 ( 4.2A)
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.
5G5G_B_ACTB1321_0
(PUTATIVE XANTHINE
DEHYDROGENASE YAGR
MOLYBDENUM-BINDING
SU SUBUNIT)		Acetic acid3 / 3
THR A 224
ASP A 263
ALA A 266
1.32A23.63
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.
2G72_A_SAMA2001_0
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
THR A 175
VAL A  20
CYH A  38
VAL A  42
TYR A  54
1.55A21.87
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.
5X19_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.30A20.23
21.85
23H  A 401 (-3.7A)
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.
6DJZ_C_GMJC301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		Haloperidol5 / 12
LEU A 177
VAL A  42
THR A  35
LEU A  32
TYR A 101
1.25A19.68
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.
4HC3_A_DXCA75_0
(PPCA)		Deoxycholic Acid4 / 7
ILE A  59
LEU A  58
LYS A  90
GLY A  79
1.30A12.12
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.
5XDH_A_DAHA60_1
(PUTATIVE CYTOCHROME
C)		Levodopa4 / 6
HIS A 164
ASN A  28
VAL A 148
LEU A 177
1.60A14.24
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.
6R2E_H_FFOH403_0
(THYMIDYLATE SYNTHASE)		Levoleucovorin5 / 12
ILE A 259
LEU A 242
LEU A 253
GLY A 251
ALA A 206
1.44A19.66
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.
5QH2_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.94A21.40
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.
3R0L_D_ACTD127_0
(PHOSPHOLIPASE A2 CB)		Acetic acid4 / 5
PHE A 140
ILE A 136
GLY A 149
HIS A 163
1.78A17.05
None
None
None
23H  A 401 (-4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 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_1
(ADENOSYLHOMOCYSTEINA
SE)		Vidarabine5 / 12
HIS A  41
LEU A  27
GLY A 146
HIS A 163
PHE A 181
1.76A20.20
23H  A 401 (-3.7A)
None
None
23H  A 401 (-4.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIN_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
LYS A 269
LEU A 268
LEU A 208
PHE A 219
1.46A21.85
10.81
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.
4DX7_A_DM2A1105_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		Epirubicin5 / 11
PHE A   3
THR A 111
GLY A 109
ASP A 289
GLN A 110
1.78A14.70
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.
3X2Q_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.32A20.23
21.85
23H  A 401 (-3.7A)
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.
5HM8_A_ADNA501_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine4 / 5
THR A 243
GLU A 240
THR A 199
LEU A 268
1.36A20.16
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.
5M5C_E_TA1E502_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel5 / 10
VAL A 296
ASP A 295
LEU A 208
ALA A 210
THR A 285
1.43A20.83
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.
6F3M_B_ADNB502_2
(-)		Adenosine4 / 4
GLN A 110
THR A 111
THR A 201
LEU A 250
1.33A22.88
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.
6F5U_A_CQNA610_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1
ENVELOPE
GLYCOPROTEIN)		Bepridil6 / 10
VAL A 204
LEU A 205
LEU A 242
LEU A 272
THR A 198
LEU A 268
1.51A20.00
20.07
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.
2YA7_C_ZMRC1776_1
(NEURAMINIDASE A)		Zanamivir5 / 12
ARG A  60
ASP A  48
PHE A  66
TYR A  54
LEU A  87
1.78A19.32
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.
2QHF_A_NCAA493_0
(CHORISMATE SYNTHASE)		Nicotinamide5 / 11
THR A 257
ILE A 213
ALA A 206
ALA A 210
VAL A 212
1.44A20.00
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.
4FO4_A_MOAA502_1
(INOSINE
5'-MONOPHOSPHATE
DEHYDROGENASE)		Mycophenolic acid4 / 8
ASN A 151
THR A 292
MET A 130
GLY A 109
1.20A25.34
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.
3SEL_X_DXCX75_0
(CYTOCHROME C7)		Deoxycholic Acid4 / 8
ILE A  59
LEU A  58
LYS A  90
GLY A  79
1.22A11.45
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.
2DDW_A_PXLA1003_1
(PYRIDOXINE KINASE)		Pyridoxal4 / 8
VAL A  68
LEU A  67
HIS A  64
ASP A  92
1.04A20.58
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.
2YQZ_B_SAMB401_0
(HYPOTHETICAL PROTEIN
TTHA0223)		S-Adenosylmethionine5 / 12
GLY A 174
ILE A 136
ASP A 187
HIS A 172
LEU A 167
1.23A19.25
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.
4YPM_A_BO2A801_1
(LON PROTEASE)		Bortezomib5 / 12
THR A 243
THR A 201
LEU A 205
GLY A 251
PRO A 252
1.31A24.62
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.
2Y69_A_CHDA1517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.32A20.23
21.85
23H  A 401 (-3.7A)
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.
4FN9_A_STRA301_1
(STEROID RECEPTOR 2)		Progesterone5 / 12
LEU A 202
ASN A 203
LEU A 205
ALA A 206
THR A 111
1.31A21.32
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.
2JN3_A_JN3A130_1
(FATTY ACID-BINDING
PROTEIN, LIVER)		Ursodeoxycholic acid6 / 12
LEU A 253
ALA A 210
ASP A 295
HIS A 246
ILE A 249
LEU A 250
1.80A17.11
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.
2ZJ0_B_2FAB500_1
(ADENOSYLHOMOCYSTEINA
SE)		Fludarabine5 / 12
HIS A  41
LEU A  27
GLY A 146
HIS A 163
PHE A 181
1.74A20.63
23H  A 401 (-3.7A)
None
None
23H  A 401 (-4.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Y8W_C_STRC603_1
(CYTOCHROME P450
21-HYDROXYLASE)		Progesterone5 / 12
VAL A  42
ILE A  43
GLY A  29
VAL A 148
LEU A 177
1.11A21.09
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.
3TNE_B_RITB401_1
(SECRETED ASPARTIC
PROTEASE)		Ritonavir5 / 12
ILE A 281
ASP A 216
GLY A 215
GLY A   2
ILE A 213
1.38A24.39
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.
3T01_A_PPFA503_1
(PHOSPHONOACETATE
HYDROLASE)		Foscarnet4 / 7
PHE A 112
THR A 111
ASN A 151
ILE A 106
1.46A21.41
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.
2F16_2_BO221405_1
(PROTEASOME COMPONENT
PRE3)		Bortezomib5 / 11
THR A  26
THR A  25
THR A  24
SER A 144
GLY A 143
1.29A22.15
None
DMS  A 402 (-4.4A)
DMS  A 402 (-4.2A)
23H  A 401 ( 3.7A)
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.
5X19_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 6
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.34A20.23
21.85
23H  A 401 (-3.7A)
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.
2D55_C_DVAC2_0
(ACTINOMYCIN D)		L-Valine3 / 3
THR A  98
PRO A  96
PRO A  99
1.41A2.23
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.
4AQ7_A_LEUA902_0
(LEUCINE--TRNA LIGASE)		L-Leucine4 / 7
LEU A 141
SER A 139
HIS A 163
HIS A 172
1.61A14.60
None
None
23H  A 401 (-4.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 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_A_THAA1_1
(LIVER
CARBOXYLESTERASE I)		Tacrine5 / 11
LEU A 177
PHE A 103
GLY A  29
VAL A  68
LEU A  86
1.30A21.47
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.
5XDX_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.35A22.58
20.23
23H  A 401 (-3.7A)
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.
3GWX_B_EPAB3_1
(PROTEIN (PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
(PPAR-DELTA)))		Icosapent5 / 12
THR A 199
THR A 201
LEU A 287
ILE A 286
LEU A 242
1.50A23.20
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.
3AG1_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 6
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.34A20.23
21.85
23H  A 401 (-3.7A)
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.
5ZCQ_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.35A20.23
21.85
23H  A 401 (-3.7A)
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.
4N09_D_ADND401_2
(ADENOSINE KINASE)		Adenosine4 / 5
CYH A  22
LEU A  89
SER A  65
LEU A  87
1.15A22.85
DMS  A 402 (-3.9A)
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.
4EMA_A_BRLA601_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Rosiglitazone5 / 12
GLY A 179
CYH A  85
HIS A  41
LEU A  27
LEU A  87
1.39A21.97
None
DMS  A 403 ( 3.7A)
23H  A 401 (-3.7A)
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.
2IVU_A_ZD6A3015_0
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET
PRECURSOR)		Vandetanib5 / 12
GLY A  79
VAL A  77
LEU A  67
VAL A  20
LEU A  87
1.07A21.60
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.
1A4L_C_DCFC1353_2
(ADENOSINE DEAMINASE)		Pentostatin4 / 5
LEU A  32
LEU A  30
SER A  10
LEU A 115
1.27A21.02
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.
3F8W_B_ADNB301_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		Adenosine5 / 12
SER A 144
TYR A 161
GLY A 124
TYR A 126
HIS A 172
1.56A24.01
23H  A 401 ( 3.7A)
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.
3ZNC_A_BZ1A500_1
(CARBONIC ANHYDRASE
IV)		Brinzolamide5 / 10
HIS A 164
VAL A 148
PHE A 159
LEU A 177
THR A 175
1.64A19.38
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.
3HGI_A_BEZA284_0
(CATECHOL
1,2-DIOXYGENASE)		Benzoic Acid5 / 12
VAL A 114
ILE A 136
GLY A 138
HIS A 163
HIS A 172
1.68A20.13
None
None
None
23H  A 401 (-4.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SH9_B_RITB301_2
(POL POLYPROTEIN)		Ritonavir5 / 10
GLY A 174
ASP A 176
ILE A 106
GLY A 149
ALA A 129
1.37A16.55
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.
2HXH_B_TA1B601_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
VAL A 296
ASP A 295
LEU A 242
THR A 243
GLY A 109
1.32A20.34
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.
5MLM_A_STRA401_1
(-)		Progesterone5 / 12
MET A 162
PHE A 159
VAL A  36
CYH A  38
PRO A  39
1.51A21.70
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.
6CHG_C_SAMC1101_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-4 SPECIFIC)		S-Adenosylmethionine5 / 12
ILE A 200
PHE A 291
ASN A 203
HIS A 246
LEU A 242
1.43A16.94
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.
3VAS_B_ADNB401_1
(PUTATIVE ADENOSINE
KINASE)		Adenosine6 / 12
ILE A 281
LEU A 208
GLY A 275
ASN A 277
LEU A 268
GLY A 278
1.78A19.85
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GWY_E_010E6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		Benzyl alcohol4 / 4
THR A  25
LEU A  27
HIS A  41
GLY A 143
0.40A43.42
DMS  A 402 (-4.4A)
None
23H  A 401 (-3.7A)
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.
3BWC_B_SAMB501_0
(SPERMIDINE SYNTHASE)		S-Adenosylmethionine5 / 12
LEU A 272
ASP A 289
ILE A 281
VAL A 204
GLY A 283
1.54A21.82
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.
4M11_A_MXMA606_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Meloxicam5 / 12
LEU A 287
LEU A 227
LEU A 205
ALA A 234
LEU A 272
1.35A20.47
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.
1ZGY_A_BRLA503_2
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		Rosiglitazone4 / 5
ILE A 281
ILE A 200
ILE A 286
LEU A 250
1.40A22.58
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.
2ZZN_B_SAMB402_0
(UNCHARACTERIZED
PROTEIN MJ0883)		S-Adenosylmethionine5 / 12
PHE A   8
ARG A 105
PHE A 159
ILE A 152
ASN A 151
1.63A20.06
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.
3ASN_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 6
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.38A20.23
21.85
23H  A 401 (-3.7A)
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.
5B1B_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
LEU A  30
PHE A 150
PHE A 159
LEU A  32
1.25A21.85
10.81
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.
3ASO_P_CHDP1271_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1)		Cholic Acid4 / 7
LEU A  30
PHE A 150
PHE A 159
LEU A  32
1.27A21.85
10.81
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.
3OXW_B_017B200_2
(HIV-1 PROTEASE)		Darunavir5 / 10
ASP A 176
VAL A 104
GLY A 149
VAL A 114
ILE A 106
1.48A17.36
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.
1YA4_B_CTXB2_1
(CES1 PROTEIN)		Tamoxifen6 / 12
PHE A 159
GLY A 146
VAL A  20
LEU A  86
LEU A  32
LEU A  89
1.63A21.36
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.
3EDL_B_TA1B601_1
(BETA TUBULIN)		Paclitaxel5 / 12
VAL A 296
ASP A 295
LEU A 242
THR A 243
GLY A 109
1.33A20.34
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.
5ZCO_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.35A20.23
21.85
23H  A 401 (-3.7A)
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.
1N2X_B_SAMB402_0
(S-ADENOSYL-METHYLTRA
NSFERASE MRAW)		S-Adenosylmethionine5 / 12
GLY A  29
GLY A 146
VAL A  36
GLY A  15
ASN A  72
1.40A20.18
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.
3VAS_A_ADNA401_1
(PUTATIVE ADENOSINE
KINASE)		Adenosine6 / 12
ILE A 281
LEU A 208
GLY A 275
ASN A 277
LEU A 268
GLY A 278
1.80A19.85
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.
1V55_C_CHDC3525_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE III)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.36A20.23
21.85
23H  A 401 (-3.7A)
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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		Foscarnet4 / 8
HIS A 172
HIS A 163
ALA A 116
LEU A 141
1.09A21.18
None
23H  A 401 (-4.1A)
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.
3AG3_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.35A20.23
21.85
23H  A 401 (-3.7A)
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.
5B8H_A_PAUA302_0
(TYPE III
PANTOTHENATE KINASE)		Pantothenic acid5 / 12
VAL A  20
LEU A  30
GLY A  29
THR A  35
LEU A  75
1.45A22.81
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.
3A51_D_VDYD6178_1
(VITAMIN D
HYDROXYLASE)		Calcidiol5 / 12
ILE A 249
LEU A 202
VAL A 297
PRO A 252
LEU A 253
1.55A22.25
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.
1WPU_A_HISA2001_0
(HUT OPERON POSITIVE
REGULATORY PROTEIN)		L-Histidine4 / 6
ARG A 217
ILE A 259
GLY A 258
ALA A 255
1.34A19.74
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.
4NJT_B_017B101_1
(PROTEASE)		Darunavir5 / 11
ILE A 106
GLY A 109
ILE A 200
THR A 135
ILE A 136
1.35A15.36
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.
5TT3_F_EZLF302_1
(ALPHA-CARBONIC
ANHYDRASE)		Ethoxzolamide4 / 8
HIS A 246
VAL A 247
LEU A 205
THR A 201
1.41A22.04
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.
2HYY_A_STIA600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		Imatinib5 / 12
TYR A 126
ALA A   7
GLU A 288
GLY A 149
ALA A 129
1.33A21.04
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.
1GTF_N_TRPN81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))		L-Tryptophan4 / 8
GLY A 138
HIS A 172
ALA A 116
SER A 144
1.09A13.89
None
None
None
23H  A 401 ( 3.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1IKW_A_EFZA2000_1
(POL POLYPROTEIN)		Efavirenz5 / 10
LEU A  86
VAL A  20
TYR A  37
GLY A  29
LEU A  87
1.70A18.99
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.
1OQ5_A_CELA701_2
(CARBONIC ANHYDRASE
II)		Celecoxib4 / 4
HIS A  41
VAL A  42
THR A 175
LEU A  30
1.66A23.15
23H  A 401 (-3.7A)
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.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		Clotrimazole4 / 6
GLN A 273
ALA A 267
ALA A 266
THR A 225
1.35A24.02
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.
2WEK_B_DIFB1376_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		Diclofenac4 / 7
GLY A  71
ALA A  70
LEU A  75
SER A 121
1.20A23.51
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.
5CZ7_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 12
GLN A 107
CYH A 128
ALA A 173
GLY A 174
CYH A 160
1.49A20.26
23.45
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.
5ZCP_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.36A20.23
21.85
23H  A 401 (-3.7A)
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.
5QHG_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.94A21.40
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.
5M24_A_9CRA501_1
(RETINOIC ACID
RECEPTOR GAMMA)		Alitretinoin5 / 12
ALA A 210
LEU A 282
ILE A 281
PHE A 219
ILE A 213
1.49A19.23
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.
1OS6_A_DXCA75_0
(PPCA)		Deoxycholic Acid4 / 8
ILE A  59
LEU A  58
LYS A  90
GLY A  79
1.29A11.45
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.
5Z86_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.37A20.23
21.85
23H  A 401 (-3.7A)
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.
6BQG_A_ERMA1201_2
(5-HYDROXYTRYPTAMINE
RECEPTOR 2C,SOLUBLE
CYTOCHROME B562)		Ergotamine4 / 5
VAL A  68
THR A  21
VAL A 148
LEU A  86
1.39A18.48
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.
4FP9_A_SAMA401_0
(METHYLTRANSFERASE
NSUN4)		S-Adenosylmethionine5 / 12
PRO A   9
GLY A  11
LYS A  12
ASN A 151
ASP A 155
1.35A19.41
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.
5B2S_A_ACTA107_0
(CRISPR-ASSOCIATED
ENDONUCLEASE CAS9
GUIDE RNA)		Acetic acid3 / 3
VAL A 186
THR A 190
ARG A 188
1.14A12.52
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.
5JNA_A_TORA302_1
(CARBONIC ANHYDRASE 4)		Topiramate5 / 12
ASN A 231
HIS A 246
VAL A 261
LEU A 205
THR A 201
1.50A20.76
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.
4LVC_B_ADNB501_2
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))		Adenosine4 / 5
GLN A 110
THR A 111
THR A 201
LEU A 250
1.33A19.76
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.
2EIM_A_CHDA525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 6
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.36A20.23
21.85
23H  A 401 (-3.7A)
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.
4MMC_A_29JA603_1
(TRANSPORTER)		Desvenlafaxine5 / 10
VAL A 157
GLY A  11
SER A 113
GLY A 149
ASP A 155
1.79A20.35
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.
1HWI_B_115B1_1
(HMG-COA REDUCTASE)		Fluvastatin5 / 9
CYH A 265
HIS A 246
LEU A 202
ALA A 206
LEU A 253
1.67A19.87
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.
3N2O_C_AG2C1002_1
(BIOSYNTHETIC
ARGININE
DECARBOXYLASE)		Agmatine4 / 8
SER A 284
LEU A 271
TRP A 218
ASP A 216
1.35A19.21
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.
3MG0_2_BO221405_1
(PROTEASOME COMPONENT
PRE3
PROTEASOME COMPONENT
PUP1)		Bortezomib5 / 12
THR A  26
THR A  25
THR A  24
SER A 144
GLY A 143
1.33A22.15
19.41
None
DMS  A 402 (-4.4A)
DMS  A 402 (-4.2A)
23H  A 401 ( 3.7A)
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.
5CYQ_A_T27A601_1
(HIV-1 REVERSE
TRANSCRIPTASE, P66
SUBUNIT)		Rilpivirine5 / 12
PRO A  39
LEU A  86
VAL A  36
PHE A 159
LEU A 177
1.70A18.74
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.
3SP9_A_IL2A901_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR DELTA)		Iloprost5 / 12
CYH A  22
THR A  24
THR A  25
ILE A  43
HIS A  41
1.53A23.17
DMS  A 402 (-3.9A)
DMS  A 402 (-4.2A)
DMS  A 402 (-4.4A)
None
23H  A 401 (-3.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ETE_C_H3PC552_1
(GLUTAMATE
DEHYDROGENASE)		Hexachlorophene3 / 3
TYR A 126
TYR A 161
GLY A 138
0.47A19.26
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.
4HB8_A_DXCA75_0
(PPCA)		Deoxycholic Acid4 / 8
ILE A  43
LEU A  87
ILE A  59
GLY A  79
1.00A11.45
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.
3DL9_B_V2HB602_1
(CYTOCHROME P450 2R1)		Doxercalciferol3 / 3
VAL A  20
LEU A  27
GLY A 146
0.76A20.25
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.
6MN4_F_AM2F301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		Apramycin4 / 7
HIS A 246
HIS A 134
GLU A 240
GLU A 290
1.79A23.97
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.
5EF2_L_TRPL101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan4 / 8
SER A 144
GLY A 138
HIS A 172
ALA A 116
1.09A13.89
23H  A 401 ( 3.7A)
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.
5LF3_N_BO2N304_1
(PROTEASOME SUBUNIT
BETA TYPE-6)		Bortezomib5 / 12
THR A  26
THR A  25
THR A  24
SER A 144
GLY A 143
1.30A20.33
None
DMS  A 402 (-4.4A)
DMS  A 402 (-4.2A)
23H  A 401 ( 3.7A)
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.
4P65_I_IPHI101_0
(INSULIN)		Phenol6 / 12
LEU A 253
CYH A 265
ILE A 259
LEU A 250
LEU A 205
ALA A 206
1.66A10.82
6.82
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.
5QHE_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.97A21.40
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.
3AG4_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.35A20.23
21.85
23H  A 401 (-3.7A)
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		Quinidine5 / 11
GLY A 143
LEU A  27
PHE A 140
ALA A 116
SER A 147
1.36A20.76
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.
2BXK_A_IMNA2001_1
(SERUM ALBUMIN)		Indomethacin4 / 8
PHE A   3
TRP A 207
ALA A 210
ASP A 289
1.36A19.04
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.
4AN2_A_EUIA1382_1
(DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1)		Cobimetinib5 / 12
LEU A  30
ASN A 151
GLY A 149
VAL A 148
GLY A 109
1.35A19.58
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.
3A50_A_VD3A2001_1
(VITAMIN D
HYDROXYLASE)		Cholecalciferol5 / 12
THR A 243
ILE A 249
ASN A 228
LEU A 202
ALA A 206
1.57A22.25
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.
2EIM_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
LYS A 269
LEU A 268
LEU A 208
PHE A 219
1.43A21.85
10.81
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.
2XRH_A_NIOA200_1
(PROTEIN HP0721)		Niacin4 / 7
GLY A   2
ILE A 213
GLN A 299
LEU A 282
1.33A15.11
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.
6NKN_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.39A21.85
20.23
23H  A 401 (-3.7A)
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.
4HB6_A_DXCA75_0
(PPCA)		Deoxycholic Acid4 / 8
ILE A  43
LEU A  87
ILE A  59
GLY A  79
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.
5K9D_A_ACTA405_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		Acetic acid3 / 3
GLN A 127
THR A 111
ASP A 295
0.61A22.34
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.
3OLL_A_ESTA600_1
(ESTROGEN RECEPTOR
BETA)		Estradiol5 / 10
MET A  82
LEU A  87
LEU A  89
MET A 162
LEU A  27
1.62A20.25
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.
1FE2_A_LAXA700_1
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		Dihomo-gamma-linolenic acid5 / 10
VAL A 233
TYR A 237
ASN A 221
ILE A 286
LEU A 268
1.34A18.32
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.
5HRQ_K_IPHK101_0
(INSULIN A-CHAIN
INSULIN B-CHAIN)		Phenol4 / 6
HIS A 164
CYH A  38
HIS A 163
LEU A  27
1.62A8.71
6.82
None
None
23H  A 401 (-4.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HIK_A_SAMA301_0
(GLYCINE SARCOSINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY A 174
MET A 165
ASP A 176
ARG A 105
GLY A 195
1.51A20.31
None
23H  A 401 (-3.5A)
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.
2Z54_A_AB1A200_1
(HIV-1 PROTEASE)		Lopinavir5 / 12
ARG A 279
ASP A 216
GLY A 215
ALA A 211
ILE A 281
1.41A16.61
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.
6F3M_D_ADND502_2
(-)		Adenosine4 / 5
GLN A 110
THR A 111
THR A 201
LEU A 250
1.32A22.88
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.
6EXI_A_ADNA502_0
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
THR A  25
HIS A 163
LEU A  27
HIS A  41
MET A  49
1.73A19.76
DMS  A 402 (-4.4A)
23H  A 401 (-4.1A)
None
23H  A 401 (-3.7A)
23H  A 401 (-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.
5B1A_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.35A20.23
21.85
23H  A 401 (-3.7A)
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.
1DMA_A_NCAA700_0
(EXOTOXIN A)		Nicotinamide4 / 7
HIS A 164
GLY A 174
LEU A 167
ALA A 173
1.29A20.33
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.
3MEE_A_T27A561_1
(P66 REVERSE
TRANSCRIPTASE)		Rilpivirine5 / 12
PRO A  39
LEU A  86
VAL A  36
PHE A 159
LEU A 177
1.75A18.18
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.
2EIN_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 6
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.41A20.23
21.85
23H  A 401 (-3.7A)
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.
4UDC_A_DEXA1778_1
(GLUCOCORTICOID
RECEPTOR)		Betamethasone5 / 12
LEU A 177
GLY A 179
GLN A  83
ARG A  88
ILE A 106
1.80A19.88
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.
3U7S_A_017A202_1
(POL POLYPROTEIN)		Darunavir5 / 9
LEU A 205
ALA A 211
ASP A 216
ILE A 286
LEU A 268
1.59A16.61
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.
3G1U_A_ADNA438_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
HIS A  41
LEU A  27
GLY A 146
HIS A 163
PHE A 181
1.75A20.45
23H  A 401 (-3.7A)
None
None
23H  A 401 (-4.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MG0_H_BO2H1400_1
(PROTEASOME COMPONENT
PUP1
PROTEASOME COMPONENT
PUP3)		Bortezomib5 / 11
THR A 135
ALA A 173
GLY A 174
THR A 175
CYH A 160
1.54A19.41
23.08
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.
5X6Y_C_SAMC902_0
(MRNA CAPPING ENZYME
P5)		S-Adenosylmethionine5 / 12
LEU A 208
ALA A 211
LYS A   5
PHE A 294
THR A 292
1.65A16.08
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.
5X1F_P_CHDP304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
LEU A  30
PHE A 150
PHE A 159
LEU A  32
1.25A21.85
10.81
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.
3DH0_A_SAMA220_1
(SAM DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine4 / 8
LYS A   5
ASP A 295
GLN A 127
GLU A 288
1.73A18.24
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.
3CS8_A_BRLA503_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Rosiglitazone5 / 12
GLY A  23
CYH A  22
SER A  65
LEU A  89
HIS A  80
1.66A22.22
DMS  A 402 (-3.5A)
DMS  A 402 (-3.9A)
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.
2NMY_A_ROCA401_1
(PROTEASE)		Saquinavir6 / 12
ARG A 279
ASP A 216
GLY A 215
ALA A 211
ILE A 259
ILE A 281
1.76A18.37
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.
5HES_A_032A401_2
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		Vemurafenib4 / 6
PHE A 150
LYS A 102
SER A 113
ASP A 153
1.65A20.00
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.
2QD3_A_CHDA501_0
(FERROCHELATASE)		Cholic Acid5 / 11
LEU A 202
LEU A 205
LEU A 208
ILE A 249
VAL A 296
1.60A20.11
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.
4J4V_A_SVRA301_1
(NUCLEOCAPSID PROTEIN)		Suramin5 / 11
GLY A 149
ARG A 298
ALA A   7
VAL A 114
ILE A 106
1.71A19.93
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.
5QH3_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.93A21.40
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.
6BC9_A_ETSA302_1
(CARBONIC ANHYDRASE 2)		Dorzolamide5 / 12
ASN A 231
HIS A 246
VAL A 261
LEU A 205
THR A 201
1.56A23.31
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.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		Bedaquiline3 / 3
GLU A 270
ALA A 266
PHE A 223
0.97A15.67
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.
5L8O_B_CHDB1001_0
(GASTROTROPIN)		Cholic Acid5 / 12
THR A 224
LEU A 272
VAL A 233
GLN A 273
GLU A 270
1.66A18.79
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.
5JMN_C_FUAC1101_1
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		Fusidic Acid3 / 3
VAL A  20
HIS A  80
VAL A  77
1.22A14.70
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.
4R7I_A_STIA1001_1
(MACROPHAGE
COLONY-STIMULATING
FACTOR 1 RECEPTOR)		Imatinib5 / 12
VAL A  77
THR A  35
CYH A 117
LEU A  87
PHE A  66
1.59A22.13
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.
3K13_C_THHC643_1
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		Levomefolic acid3 / 3
ASN A 203
ASP A 295
ARG A 105
1.02A21.08
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.
4EIL_A_FOLA703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		Folic Acid5 / 11
VAL A  13
PHE A 103
SER A 158
VAL A 148
THR A  98
1.56A20.07
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.
1EPB_B_9CRB165_2
(EPIDIDYMAL RETINOIC
ACID-BINDING PROTEIN)		Alitretinoin5 / 8
PHE A 150
MET A 162
LEU A  32
VAL A  36
VAL A  18
1.75A20.52
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.
5UAH_C_RFPC3001_1
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		Rifampicin5 / 12
LEU A  89
LEU A  87
ARG A  40
ILE A  43
ARG A  60
1.80A13.75
None
None
DMS  A 403 ( 4.2A)
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.
3U9H_A_NCAA1163_0
(TANKYRASE-2)		Nicotinamide4 / 8
HIS A 134
GLY A 183
ALA A 173
TYR A 182
1.40A22.26
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.
5YOD_B_BEZB201_0
(NS3 PROTEASE)		Benzoic Acid4 / 5
HIS A 163
ALA A 116
SER A 144
GLY A 146
1.56A21.85
23H  A 401 (-4.1A)
None
23H  A 401 ( 3.7A)
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.
2V3K_A_SAMA1254_0
(ESSENTIAL FOR
MITOTIC GROWTH 1)		S-Adenosylmethionine6 / 10
LEU A 253
VAL A 296
GLY A 251
LEU A 250
LEU A 202
ALA A 206
1.65A21.00
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.
5Z85_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.37A20.23
21.85
23H  A 401 (-3.7A)
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.
4FJP_A_NPSA711_1
(LACTOTRANSFERRIN)		Naproxen4 / 6
THR A 135
PRO A 132
ASN A 133
GLY A 109
1.40A22.31
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.
6APH_A_ADNA501_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
HIS A  41
LEU A  27
GLY A 146
HIS A 163
PHE A 181
1.72A21.72
23H  A 401 (-3.7A)
None
None
23H  A 401 (-4.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 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_B_THAB2_1
(LIVER
CARBOXYLESTERASE I)		Tacrine5 / 11
LEU A 177
PHE A 159
VAL A  20
LEU A  86
LEU A  32
1.28A21.47
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.
5NZY_A_CE3A1103_1
(DNA CROSS-LINK
REPAIR 1A PROTEIN)		Cefotaxime4 / 8
THR A  98
PRO A  96
VAL A  73
GLY A  71
1.20A22.37
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.
3Q07_A_WPPA300_1
(BETA-LACTAMASE)		Piperacillin5 / 12
GLY A 120
ASN A 142
THR A  25
SER A 147
GLY A 146
1.54A20.87
None
23H  A 401 (-4.8A)
DMS  A 402 (-4.4A)
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.
3P2K_D_SAMD6735_0
(16S RRNA METHYLASE)		S-Adenosylmethionine5 / 12
GLY A  15
PRO A  99
TRP A  31
LEU A  30
TYR A  37
1.50A22.15
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.
3IZ0_B_TA1B820_1
(BETA TUBULIN, CHAIN
B FROM PDB 1JFF)		Paclitaxel5 / 12
VAL A 296
ASP A 295
LEU A 242
THR A 243
GLY A 109
1.31A20.34
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.
3H52_A_486A3_1
(GLUCOCORTICOID
RECEPTOR)		Mifepristone5 / 12
LEU A  27
ASN A  28
GLY A 146
LEU A  89
MET A  17
1.53A22.22
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.
5QH6_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.90A21.40
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.
5CG6_A_RISA404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		Risedronate5 / 12
PHE A 112
ASP A 289
LYS A 137
THR A 135
ASP A 197
1.78A19.64
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.
3AG2_A_CHDA525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.32A20.23
21.85
23H  A 401 (-3.7A)
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.
2EIJ_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.34A20.23
21.85
23H  A 401 (-3.7A)
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.
4ACB_B_DXCB1473_0
(TRANSLATION
ELONGATION FACTOR
SELB)		Deoxycholic Acid4 / 8
ILE A 136
GLY A 138
GLN A 127
ARG A 298
1.03A20.00
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.
4ICL_A_T27A601_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		Rilpivirine5 / 12
PRO A  99
LEU A  32
VAL A  91
VAL A  18
TYR A  37
1.79A18.74
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.
5HFJ_A_SAMA301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		S-Adenosylmethionine5 / 12
ALA A 194
PRO A 184
PHE A 185
GLY A 174
TYR A 182
1.70A20.72
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.
4QW1_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 12
THR A 135
GLN A 107
CYH A 128
ALA A 173
CYH A 160
1.36A20.26
23.45
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.
4J7X_A_SASA806_1
(SEPIAPTERIN
REDUCTASE)		Sulfasalazine5 / 12
CYH A 128
PHE A 112
TYR A 126
ASP A 176
GLY A 174
1.51A23.38
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.
5UAL_C_RFPC3001_1
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		Rifampicin5 / 11
GLN A 110
PHE A 112
ASP A 295
ILE A 249
GLN A 127
1.51A13.67
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.
3JWQ_C_VIAC901_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
CATALYTIC DOMAIN,
CONE CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
SUBUNIT ALPHA
CHIMERA)		Sildenafil4 / 7
HIS A 164
MET A  17
LEU A  32
VAL A 114
1.65A22.38
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.
2HXF_B_TA1B601_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
VAL A 296
ASP A 295
LEU A 242
THR A 243
GLY A 109
1.32A20.34
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.
4J7X_F_SASF805_1
(SEPIAPTERIN
REDUCTASE)		Sulfasalazine5 / 12
CYH A 128
PHE A 112
TYR A 126
ASP A 176
GLY A 174
1.55A23.38
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.
5L6E_A_SAMA601_1
(N6-ADENOSINE-METHYLT
RANSFERASE 70 KDA
SUBUNIT)		S-Adenosylmethionine4 / 6
ASP A  56
ASP A 187
ARG A 188
ASN A  53
1.79A20.20
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.
2ZD1_A_T27A557_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		Rilpivirine5 / 12
PRO A  99
LEU A  32
VAL A  91
VAL A  18
TYR A  37
1.79A18.74
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.
5QGJ_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.93A21.40
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.
5B3S_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.34A20.23
21.85
23H  A 401 (-3.7A)
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.
4MMB_A_SREA603_1
(TRANSPORTER)		Sertraline5 / 9
ASP A 289
PRO A 241
ALA A 234
TYR A 239
GLY A 109
1.79A20.35
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.
1FM6_U_9CRU502_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 12
ALA A 210
ALA A 211
TRP A 218
ILE A 286
LEU A 271
1.38A21.77
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.
5L5F_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 12
CYH A 128
ALA A 173
GLY A 174
THR A 175
CYH A 160
1.54A20.26
23.45
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.
3ABK_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.34A20.23
21.85
23H  A 401 (-3.7A)
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.
3JQ7_A_DX2A271_1
(PTERIDINE REDUCTASE
1)		Triamterene5 / 10
PHE A 103
ASP A  33
TYR A 101
VAL A  36
MET A 162
1.69A24.29
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.
5L66_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 12
CYH A 128
ALA A 173
GLY A 174
THR A 175
CYH A 160
1.61A20.26
23.45
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.
4XTA_B_DIFB501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Diclofenac4 / 8
CYH A 265
LEU A 250
LEU A 253
ILE A 259
1.16A22.08
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.
2ZIF_B_SAMB298_0
(PUTATIVE
MODIFICATION
METHYLASE)		S-Adenosylmethionine6 / 12
ALA A 194
PRO A 184
PHE A 185
GLY A 174
THR A 175
TYR A 182
1.76A19.53
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.
3NU3_B_478B401_2
(PROTEASE)		Amprenavir5 / 11
LEU A 250
GLY A 109
ILE A 200
PRO A 293
ILE A 249
1.34A18.02
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.
4X1I_B_LOCB502_2
(TUBULIN BETA CHAIN)		Colchicine5 / 12
LEU A 250
THR A 201
ALA A 206
VAL A 296
ALA A 210
1.56A20.13
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.
5QGN_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.91A21.40
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.
4J7U_D_YTZD802_1
(SEPIAPTERIN
REDUCTASE)		Sulfathiazole4 / 8
LEU A 205
CYH A 265
PHE A 230
GLN A 244
1.40A23.38
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.
1AXW_B_MTXB733_1
(THYMIDYLATE SYNTHASE)		Methotrexate5 / 11
ILE A 152
LEU A 115
GLY A 149
TYR A 126
VAL A 125
1.77A20.82
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.
3U9F_E_CLME221_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol3 / 3
PHE A 181
CYH A  85
HIS A 164
1.61A24.39
None
DMS  A 403 ( 3.7A)
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.
3CE6_B_ADNB500_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
HIS A  41
LEU A  27
GLY A 146
HIS A 163
PHE A 181
1.76A21.05
23H  A 401 (-3.7A)
None
None
23H  A 401 (-4.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5QGL_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
1.00A21.40
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.
5J5X_B_AZ1B2_1
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA
47P-AZ1-DAL-DAR-DAR-
DAR-DAR)		Azelaic Acid4 / 7
GLY A  29
GLY A 120
SER A 121
VAL A  20
1.12A19.18
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.
1H4O_G_BEZG1162_0
(PEROXIREDOXIN 5)		Benzoic Acid4 / 8
PRO A  39
THR A 175
GLY A 174
LEU A  30
1.23A21.45
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.
6NMP_C_CHDC303_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 6
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.36A20.23
21.85
23H  A 401 (-3.7A)
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.
5M66_D_ADND502_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine3 / 3
THR A 243
THR A 199
LEU A 268
1.00A19.76
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.
2OW9_A_HAEA502_1
(COLLAGENASE 3)		Acetohydroxamic Acid4 / 6
LEU A 141
GLU A 166
HIS A 172
HIS A 163
1.58A20.52
None
23H  A 401 (-3.8A)
None
23H  A 401 (-4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NJ9_K_SAMK500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC)		S-Adenosylmethionine5 / 12
PRO A 122
GLY A 143
GLY A  29
GLY A 146
VAL A  42
1.21A19.38
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.
2COJ_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		Gabapentin5 / 11
TYR A 161
MET A 130
ALA A 173
TYR A 126
VAL A 114
1.69A22.88
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.
1LHU_A_ESTA301_1
(SEX HORMONE-BINDING
GLOBULIN)		Estradiol5 / 12
PHE A 159
MET A  17
SER A 147
LEU A 115
ILE A 152
1.48A21.07
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.
3ABL_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.36A20.23
21.85
23H  A 401 (-3.7A)
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.
5X5Q_C_D16C402_1
(THYMIDYLATE SYNTHASE)		Raltitrexed4 / 7
ILE A 281
LEU A 268
PHE A 219
TYR A 237
1.32A20.54
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.
5GWX_A_SAMA301_0
(GLYCINE SARCOSINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
ALA A  70
GLY A  71
GLY A 120
SER A 121
LEU A  30
1.48A20.31
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.
6GBN_A_ADNA501_2
(-)		Adenosine4 / 5
GLN A 110
THR A 111
THR A 201
LEU A 250
1.38A20.94
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.
6F3N_A_ADNA505_1
(-)		Adenosine5 / 12
HIS A  41
LEU A  27
GLY A 146
HIS A 163
PHE A 181
1.73A21.40
23H  A 401 (-3.7A)
None
None
23H  A 401 (-4.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BR4_A_SAMA301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		S-Adenosylmethionine5 / 12
LEU A 177
LEU A  86
GLY A  29
TYR A  37
CYH A 117
1.33A22.96
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.
5Z84_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.35A20.23
21.85
23H  A 401 (-3.7A)
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.
3OXV_C_478C200_1
(HIV-1 PROTEASE)		Amprenavir5 / 9
ASP A 176
VAL A 104
GLY A 149
VAL A 114
ILE A 106
1.45A17.31
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.
4OKX_A_198A1002_2
(ANDROGEN RECEPTOR)		Bicalutamide4 / 6
LEU A 208
MET A 276
LEU A 287
ILE A 200
1.45A20.00
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)		Clopidogrel5 / 10
VAL A 296
ILE A 213
ALA A 255
ILE A 259
VAL A 212
1.42A23.13
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.
5IKR_B_ID8B602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		Mefenamic acid3 / 3
SER A 123
LEU A  30
MET A  17
1.55A19.36
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.
1ZGY_A_BRLA503_1
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		Rosiglitazone5 / 12
GLY A  23
CYH A  22
SER A  65
LEU A  89
LEU A  27
1.56A22.58
DMS  A 402 (-3.5A)
DMS  A 402 (-3.9A)
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		Quinidine5 / 11
GLY A 143
LEU A  27
PHE A 140
ALA A 116
SER A 147
1.45A20.76
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		Sapropterin4 / 8
VAL A 171
ALA A 193
PHE A 185
GLU A 166
1.37A22.15
None
None
None
23H  A 401 (-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.
5GTR_A_ESTA601_1
(ESTROGEN RECEPTOR)		Estradiol5 / 12
LEU A 282
ALA A 210
MET A 264
ILE A 259
LEU A 253
1.45A18.94
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.
1RJ6_A_AZMA400_1
(CARBONIC ANHYDRASE
XIV)		Acetazolamide5 / 10
HIS A 246
VAL A 247
LEU A 262
LEU A 205
THR A 201
1.44A20.19
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.
3AOD_C_RFPC2002_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		Rifampicin5 / 12
MET A 165
PHE A 185
ARG A  40
GLY A 179
ARG A 105
1.56A14.76
23H  A 401 (-3.5A)
None
DMS  A 403 ( 4.2A)
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.
5DLV_B_5D5B927_0
(ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2)		Tauroursodeoxycholic acid5 / 12
THR A 175
LEU A 177
ILE A 152
TRP A  31
VAL A  20
1.75A16.41
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.
4KLA_A_CHDA502_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid5 / 8
LEU A 202
LEU A 205
LEU A 208
ILE A 249
VAL A 296
1.59A20.11
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.
3TTR_A_LQZA90_1
(LACTOTRANSFERRIN)		Lidocaine3 / 3
PRO A 241
THR A 243
LEU A 202
1.33A24.19
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.
3MBH_A_PXLA400_1
(PUTATIVE
PHOSPHOMETHYLPYRIMID
INE KINASE)		Pyridoxal5 / 11
VAL A 212
THR A 257
GLN A 256
TYR A 209
VAL A 296
1.79A22.77
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.
6C71_A_NCTA501_1
(AMINE OXIDASE)		Nicotine5 / 10
TRP A 218
LEU A 272
GLU A 270
ALA A 266
ASN A 221
1.65A23.23
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.
2BM9_F_SAMF301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		S-Adenosylmethionine5 / 12
GLY A 283
ASN A 214
ALA A 210
ALA A 206
ASP A 216
1.29A22.96
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.
4MWZ_B_CQAB303_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		Amodiaquine4 / 8
GLY A 143
GLY A 120
GLU A  14
LEU A 115
1.04A18.92
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.
1UOB_A_PNNA1311_0
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		Benzylpenicillin5 / 12
LEU A 253
ASP A 248
LEU A 227
VAL A 261
ILE A 249
1.53A22.25
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.
3HGG_A_CHDA211_0
(CMER)		Cholic Acid4 / 7
CYH A 128
PHE A 140
PHE A 112
TYR A 182
1.70A21.27
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.
2BFM_A_TOPA1290_1
(PTERIDINE REDUCTASE
1)		Trimethoprim5 / 9
PHE A 230
LEU A 268
LEU A 250
LEU A 202
TYR A 209
1.78A24.04
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.
4K0S_A_AZMA302_1
(CARBONIC ANHYDRASE 2)		Acetazolamide5 / 11
VAL A 261
LEU A 253
VAL A 247
LEU A 202
THR A 201
1.54A23.64
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.
1CIL_A_ETSA263_1
(CARBONIC ANHYDRASE
II)		Dorzolamide5 / 12
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.61A23.15
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.
3Q1E_D_T44D328_1
(5-HYDROXYISOURATE
HYDROLASE)		Levothyroxine5 / 9
HIS A 246
LEU A 202
LEU A 250
LEU A 227
LEU A 262
1.70A19.00
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		Azacitidine5 / 9
LEU A 177
GLY A 174
HIS A 164
VAL A 148
SER A 147
1.55A19.81
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.
5QGM_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.93A21.40
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.
2Y69_N_CHDN1517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.36A21.85
20.23
23H  A 401 (-3.7A)
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.
3W1W_B_CHDB504_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid5 / 12
LEU A 177
PHE A 103
LEU A  86
VAL A  20
VAL A  13
1.70A20.47
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.
2OAX_A_SNLA1001_2
(MINERALOCORTICOID
RECEPTOR)		Spironolactone4 / 5
LEU A 272
ALA A 267
TRP A 218
LEU A 208
1.76A22.71
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.
4TYJ_A_0LIA801_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		Ponatinib5 / 12
MET A 130
ALA A 193
HIS A 163
LEU A 167
ALA A 173
1.45A21.33
None
None
23H  A 401 (-4.1A)
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.
1ONI_B_BEZB504_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		Benzoic Acid4 / 7
LEU A 250
ILE A 249
ALA A 206
ILE A 200
1.12A19.28
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.
5CYM_A_T27A601_1
(HIV-1 REVERSE
TRANSCRIPTASE, P66
SUBUNIT)		Rilpivirine5 / 12
PRO A  39
LEU A  86
VAL A  36
PHE A 159
LEU A 177
1.69A18.74
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.
1DMY_A_AZMA400_1
(MURINE CARBONIC
ANHYDRASE V)		Acetazolamide5 / 11
VAL A 261
TYR A 209
LEU A 250
LEU A 202
THR A 201
1.56A21.80
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.
5Z85_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.37A21.85
20.23
23H  A 401 (-3.7A)
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.
3MG0_V_BO2V1401_1
(PROTEASOME COMPONENT
PUP1
PROTEASOME COMPONENT
PUP3)		Bortezomib5 / 11
THR A 135
ALA A 173
GLY A 174
THR A 175
CYH A 160
1.56A19.41
23.08
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.
3HS4_A_AZMA702_1
(CARBONIC ANHYDRASE 2)		Acetazolamide4 / 7
VAL A 233
LYS A 236
TYR A 237
GLU A 270
1.67A23.31
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.
2EIK_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.34A20.23
21.85
23H  A 401 (-3.7A)
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.
2BDM_A_TMIA501_1
(CYTOCHROME P450 2B4)		Bifonazole4 / 7
SER A 139
LEU A 141
PHE A 140
GLY A 143
1.25A23.13
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.
3IA4_D_MTXD164_2
(DIHYDROFOLATE
REDUCTASE)		Methotrexate3 / 3
ARG A 105
ILE A 136
THR A 169
1.12A20.07
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.
5YU9_A_1E8A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Ibrutinib6 / 12
LEU A 167
GLY A 170
VAL A 171
ALA A 173
LYS A 137
ASP A 197
1.75A20.96
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.
6F6I_A_8PRA509_1
(ENVELOPE
GLYCOPROTEIN,GP,GP1
ENVELOPE
GLYCOPROTEIN)		Paroxetine6 / 12
VAL A 204
LEU A 268
GLU A 288
LEU A 271
MET A 276
LEU A 272
1.55A20.52
20.07
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.
2AA6_A_STRA401_1
(MINERALOCORTICOID
RECEPTOR)		Progesterone5 / 12
LEU A 202
ASN A 203
LEU A 205
ALA A 206
THR A 111
1.38A21.84
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.
3TNE_A_RITA401_2
(SECRETED ASPARTIC
PROTEASE)		Ritonavir4 / 6
SER A 147
TYR A 118
THR A  26
THR A  25
1.47A24.39
None
None
None
DMS  A 402 (-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.
3ABK_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 6
LEU A  30
PHE A 150
PHE A 159
LEU A  32
1.27A21.85
10.81
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.
4LVC_A_ADNA501_2
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))		Adenosine4 / 5
GLN A 110
THR A 111
THR A 201
LEU A 250
1.37A19.76
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.
1T46_A_STIA3_2
(HOMO SAPIENS V-KIT
HARDY-ZUCKERMAN 4
FELINE SARCOMA VIRAL
ONCOGENE HOMOLOG)		Imatinib4 / 7
VAL A  42
TYR A 118
CYH A 117
ARG A  76
1.41A19.53
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.
3BJM_B_BJMB2_1
(DIPEPTIDYL PEPTIDASE
4)		Saxagliptin5 / 12
ARG A 298
PHE A 291
SER A 113
VAL A 114
ASN A 151
1.75A16.33
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.
2ZUJ_A_CAMA422_0
(CAMPHOR
5-MONOOXYGENASE)		Camphor5 / 8
PHE A 230
THR A 201
VAL A 247
LEU A 242
VAL A 261
1.80A21.08
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.
5KIR_B_RCXB601_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		Rofecoxib4 / 4
LEU A 208
ARG A 217
ILE A 281
PHE A 219
1.65A18.57
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.
5HNW_B_TA1B902_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel5 / 12
VAL A 296
ASP A 295
LEU A 268
LEU A 208
LEU A 287
1.43A20.46
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.
6CK2_C_IPHC101_0
(INSULIN A CHAIN
INSULIN B CHAIN)		Phenol4 / 4
ILE A 136
LEU A 167
HIS A 134
ALA A 194
1.22A6.82
8.30
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.
5QGW_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.93A21.40
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.
5QGV_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.93A21.40
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.
4AC9_C_DXCC1479_0
(MJ0495-LIKE PROTEIN)		Deoxycholic Acid4 / 5
THR A 135
ILE A 136
GLU A 290
PHE A 140
1.74A20.00
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.
4M2R_A_BZ1A302_1
(CARBONIC ANHYDRASE 2)		Brinzolamide5 / 12
ASN A 231
HIS A 246
VAL A 261
LEU A 205
THR A 201
1.56A22.99
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.
6BXL_B_SAMB401_0
(2-(3-AMINO-3-CARBOXY
PROPYL)HISTIDINE
SYNTHASE)		S-Adenosylmethionine5 / 12
GLY A 138
HIS A 172
SER A  10
VAL A  13
VAL A 148
1.35A20.91
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.
1V54_C_CHDC3525_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE III)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.37A20.23
21.85
23H  A 401 (-3.7A)
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.
3KEC_A_HAEA272_1
(COLLAGENASE 3)		Acetohydroxamic Acid4 / 5
LEU A 141
GLU A 166
HIS A 172
HIS A 163
1.63A19.55
None
23H  A 401 (-3.8A)
None
23H  A 401 (-4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CLD_A_GW6A1_1
(GLUCOCORTICOID
RECEPTOR)		Fluticasone furoate5 / 12
GLY A 179
LEU A  87
CYH A  44
LEU A  27
PHE A 181
1.78A20.52
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.
6BRD_C_RFPC502_1
(RIFAMPIN
MONOOXYGENASE)		Rifampicin6 / 12
VAL A  91
VAL A  68
GLY A 146
VAL A 148
PHE A 150
GLY A  15
1.57A19.21
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.
3TI1_A_B49A299_1
(CYCLIN-DEPENDENT
KINASE 2)		Sunitinib5 / 9
ILE A 249
VAL A 297
PHE A 294
LEU A 253
ASP A 295
1.65A21.50
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.
3BJW_B_SVRB501_2
(PHOSPHOLIPASE A2)		Suramin5 / 11
VAL A  91
GLY A  79
LYS A  61
SER A  62
SER A  65
1.63A17.10
None
None
DMS  A 402 ( 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.
4QVY_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 12
THR A 135
CYH A 128
ALA A 173
GLY A 174
THR A 175
1.45A20.26
23.45
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.
2BXG_B_IBPB2002_1
(SERUM ALBUMIN)		Ibuprofen6 / 10
ALA A 206
LEU A 271
LEU A 208
ALA A 267
SER A 254
LEU A 253
1.76A19.04
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.
4PCL_B_SAMB301_0
(O-METHYLTRANSFERASE
FAMILY PROTEIN)		S-Adenosylmethionine5 / 12
GLN A 127
GLY A 124
PHE A   8
ALA A 116
TYR A 118
1.64A21.97
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.
5QH7_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.92A21.40
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.
2I30_A_SALA1100_1
(SERUM ALBUMIN)		Salicylic acid4 / 6
PHE A 140
ARG A 131
GLY A 138
LYS A 137
1.47A19.04
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.
5HNY_B_TA1B601_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel5 / 12
VAL A 296
ASP A 295
LEU A 268
LEU A 208
LEU A 287
1.41A20.83
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.
5Y9M_A_NIOA401_1
(CASEIN KINASE II
SUBUNIT ALPHA')		Niacin4 / 8
LEU A  27
VAL A  20
VAL A  42
MET A 162
1.26A21.47
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.
5NOO_A_D16A402_1
(THYMIDYLATE SYNTHASE)		Raltitrexed4 / 7
ILE A 281
LEU A 268
PHE A 219
TYR A 237
1.32A21.05
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.
3H52_B_486B1_2
(GLUCOCORTICOID
RECEPTOR)		Mifepristone5 / 12
MET A  82
GLY A  79
VAL A  77
CYH A  44
CYH A  38
1.47A22.22
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.
4M2W_A_ETSA302_1
(CARBONIC ANHYDRASE 2)		Dorzolamide5 / 12
LEU A  27
VAL A  20
VAL A  68
LEU A  89
THR A  35
1.43A22.43
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.
4NJU_A_TPVA500_2
(PROTEASE)		Tipranavir5 / 10
LEU A 250
GLY A 109
ILE A 200
PRO A 293
ILE A 249
1.36A15.36
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.
4OTW_A_DB8A1101_2
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-3)		Bosutinib3 / 3
LEU A 202
LEU A 272
ASN A 231
1.00A21.93
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.
2WBE_B_TA1B1439_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel5 / 12
VAL A 296
ASP A 295
LEU A 242
THR A 243
GLY A 109
1.32A20.34
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.
6JMJ_A_ASCA201_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		Vitamin C4 / 5
GLY A 138
HIS A 163
SER A 147
SER A 144
1.52A20.78
None
23H  A 401 (-4.1A)
None
23H  A 401 ( 3.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1D4F_B_ADNB602_2
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		Adenosine4 / 5
THR A 198
THR A 199
THR A 292
HIS A 246
1.54A21.28
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.
5UUN_A_ACTA309_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		Acetic acid4 / 4
LEU A  27
GLY A 143
SER A 144
SER A 147
1.68A22.22
None
None
23H  A 401 ( 3.7A)
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.
3A51_A_VDYA6178_1
(VITAMIN D
HYDROXYLASE)		Calcidiol5 / 11
ILE A 249
LEU A 202
VAL A 297
PRO A 252
LEU A 253
1.56A22.25
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.
2QD3_A_CHDA502_0
(FERROCHELATASE)		Cholic Acid4 / 8
PRO A 122
SER A 121
VAL A  13
GLY A  15
1.61A20.11
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.
4IDK_A_T27A601_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		Rilpivirine5 / 12
PRO A  99
LEU A  32
VAL A  91
VAL A  18
TYR A  37
1.78A18.74
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.
2BR4_D_SAMD301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		S-Adenosylmethionine5 / 12
LEU A 177
LEU A  86
GLY A  29
TYR A  37
CYH A 117
1.37A22.96
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.
3GWX_A_EPAA1_2
(PROTEIN (PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
(PPAR-DELTA)))		Icosapent5 / 12
CYH A  22
THR A  24
THR A  25
HIS A  41
LEU A  27
1.43A23.20
DMS  A 402 (-3.9A)
DMS  A 402 (-4.2A)
DMS  A 402 (-4.4A)
23H  A 401 (-3.7A)
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.
2POU_A_I7AA1000_1
(CARBONIC ANHYDRASE 2)		Diclofenamide5 / 12
ASN A 231
HIS A 246
VAL A 261
LEU A 205
THR A 201
1.65A23.31
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.
1DIT_P_2PPP1_1
(ALPHA-THROMBIN
PEPTIDE INHIBITOR
CVS995)		Valproic Acid4 / 6
LEU A 202
ILE A 200
ASP A 295
PRO A 293
1.29A19.70
5.15
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.
1WMQ_A_HISA2001_0
(HUT OPERON POSITIVE
REGULATORY PROTEIN)		L-Histidine4 / 6
ARG A 217
ILE A 259
GLY A 258
ALA A 255
1.33A19.74
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.
1YMX_B_CFXB1002_1
(BETA-LACTAMASE
CTX-M-9)		Cefoxitin5 / 12
SER A 147
ASN A 119
SER A 144
GLY A 146
GLY A  29
1.64A20.87
None
None
23H  A 401 ( 3.7A)
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.
6CI6_A_NBOA606_1
(SERUM ALBUMIN)		Nabumetone5 / 12
PHE A 150
VAL A 148
GLY A 149
CYH A 160
LEU A  30
1.54A17.47
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.
5ODI_G_ACTG702_0
(HETERODISULFIDE
REDUCTASE, SUBUNIT A)		Acetic acid3 / 3
GLY A 143
THR A  26
ASN A  28
0.93A20.43
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.
4DO3_A_0LAA602_1
(FATTY-ACID AMIDE
HYDROLASE 1)		Carprofen4 / 5
LEU A 272
LEU A 268
MET A 276
TRP A 207
1.74A19.01
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.
5QGZ_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.93A21.40
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.
5EF3_L_TRPL101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan4 / 8
SER A 144
GLY A 138
HIS A 172
ALA A 116
1.09A13.89
23H  A 401 ( 3.7A)
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.
6EXI_C_ADNC502_0
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
THR A  25
HIS A 163
LEU A  27
HIS A  41
MET A  49
1.76A19.76
DMS  A 402 (-4.4A)
23H  A 401 (-4.1A)
None
23H  A 401 (-3.7A)
23H  A 401 (-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.
5EEV_L_TRPL101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan4 / 8
SER A 144
GLY A 138
HIS A 172
ALA A 116
1.08A13.89
23H  A 401 ( 3.7A)
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.
3WZE_A_BAXA1201_2
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		Sorafenib5 / 8
VAL A 247
CYH A 265
LEU A 242
ILE A 249
ASP A 245
1.61A23.28
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.
5XIP_C_HFGC1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		Halofuginone5 / 12
LEU A 272
GLU A 240
HIS A 246
THR A 111
GLY A 109
1.66A19.88
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.
1XOS_A_VIAA1_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		Sildenafil5 / 12
PHE A 294
SER A 301
GLN A 127
PHE A   8
ILE A 152
1.59A21.23
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.
1S9P_B_DESB459_2
(ESTROGEN-RELATED
RECEPTOR GAMMA)		Diethylstilbestrol3 / 3
LEU A 205
HIS A 246
ILE A 249
1.07A21.02
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.
4ACA_C_DXCC1479_0
(TRANSLATION
ELONGATION FACTOR
SELB)		Deoxycholic Acid4 / 5
THR A 135
ILE A 136
GLU A 290
PHE A 140
1.74A20.00
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.
5X1B_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 6
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.39A20.23
21.85
23H  A 401 (-3.7A)
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.
5ZJ8_A_9DCA303_0
(METALLO-BETA-LACTAMA
SE TYPE 2)		Dimercaprol4 / 8
MET A  49
HIS A 164
ASP A 187
CYH A  85
1.78A21.02
23H  A 401 (-3.8A)
None
None
DMS  A 403 ( 3.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ECL_D_ILED602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		L-Isoleucine4 / 6
ILE A 213
ALA A 255
THR A 257
VAL A 297
1.04A19.20
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.
4G0V_D_MIXD101_1
(DNA TOPOISOMERASE
2-BETA)		Mitoxantrone4 / 6
ARG A 131
GLY A 109
GLU A 240
GLN A 127
1.55A18.14
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.
1HRK_B_CHDB2501_0
(FERROCHELATASE)		Cholic Acid5 / 12
LEU A 177
PHE A 103
LEU A  86
VAL A  20
VAL A  13
1.73A20.38
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.
5IY5_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.36A20.23
21.18
23H  A 401 (-3.7A)
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.
4AC9_B_DXCB1473_0
(MJ0495-LIKE PROTEIN)		Deoxycholic Acid5 / 11
ILE A 136
PHE A 112
PHE A 140
SER A  10
GLY A 149
1.32A20.00
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.
4OKW_A_198A1001_2
(ANDROGEN RECEPTOR)		Bicalutamide4 / 7
LEU A 220
MET A 276
LEU A 268
ILE A 259
1.28A20.00
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.
2ZXW_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 6
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.37A20.23
21.85
23H  A 401 (-3.7A)
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.
2VMY_B_GLYB502_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		Glycine4 / 8
TYR A 126
SER A 139
HIS A 163
SER A 144
1.56A20.57
None
None
23H  A 401 (-4.1A)
23H  A 401 ( 3.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5W97_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.39A20.23
21.85
23H  A 401 (-3.7A)
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.
5X1B_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.36A20.23
21.85
23H  A 401 (-3.7A)
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.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		Chlorthalidone5 / 12
ASN A 231
HIS A 246
VAL A 261
LEU A 205
THR A 201
1.53A23.31
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.
3ASN_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.34A21.85
20.23
23H  A 401 (-3.7A)
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.
3UCJ_A_AZMA229_1
(CARBONIC ANHYDRASE)		Acetazolamide6 / 10
ASP A 197
VAL A 171
GLY A 195
ALA A 194
ALA A 193
THR A 169
1.60A21.14
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.
5EEZ_L_TRPL101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan4 / 8
SER A 144
GLY A 138
HIS A 172
ALA A 116
1.09A13.89
23H  A 401 ( 3.7A)
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.
3R55_A_PZAA598_0
(LACTOPEROXIDASE)		Pyrazinamide3 / 3
GLU A 270
PHE A 223
GLN A 273
1.76A20.00
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.
1YDD_A_AZMA264_1
(CARBONIC ANHYDRASE
II)		Acetazolamide5 / 10
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.68A22.85
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.
4F4D_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid4 / 8
ILE A 152
ARG A 298
PRO A 122
VAL A 125
1.52A20.11
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.
4FOG_D_C2FD302_0
(THYMIDYLATE SYNTHASE)		Levomefolic acid5 / 11
ILE A 259
LEU A 242
LEU A 253
GLY A 251
ALA A 206
1.53A21.71
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.
4O5F_A_PAUA301_0
(TYPE III
PANTOTHENATE KINASE)		Pantothenic acid5 / 12
VAL A  20
LEU A  30
GLY A  29
THR A  35
LEU A  75
1.46A22.52
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.
1U1J_A_C2FA773_0
(5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE)		Levomefolic acid4 / 8
ARG A  60
ASN A  63
HIS A  64
SER A  62
1.64A17.51
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.
4WOZ_B_MN9B401_0
(N-ACETYLNEURAMINATE
LYASE)		N-Acetyl-D-glucosamine4 / 6
SER A  81
LEU A  87
TYR A  54
LEU A  58
1.27A22.25
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EU8_B_010B6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		Benzyl alcohol4 / 5
LEU A  87
HIS A  41
THR A  25
CYH A  38
1.41A45.10
None
23H  A 401 (-3.7A)
DMS  A 402 (-4.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ARC_A_LEUA1001_0
(LEUCINE--TRNA LIGASE)		L-Leucine4 / 7
SER A 144
TYR A 161
HIS A 172
HIS A 163
1.47A14.60
23H  A 401 ( 3.7A)
None
None
23H  A 401 (-4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FXT_A_0LAA1376_1
(DNA POLYMERASE III
SUBUNIT BETA)		Carprofen4 / 7
LEU A  27
THR A  25
ILE A  43
MET A  49
1.42A20.66
None
DMS  A 402 (-4.4A)
None
23H  A 401 (-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.
2HYY_D_STID600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		Imatinib5 / 12
TYR A 209
ALA A 211
MET A 276
LEU A 220
ALA A 267
1.40A21.04
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.
4YV5_A_SVRA205_1
(BASIC PHOSPHOLIPASE
A2 HOMOLOG 2)		Suramin4 / 7
ASN A  84
LYS A 180
TYR A 161
PHE A 150
1.49A17.10
DMS  A 403 (-4.1A)
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.
3TKG_C_ROCC901_3
(PROTEASE)		Saquinavir3 / 3
ASP A 153
THR A 292
PRO A 293
1.24A18.56
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.
5T8H_B_478B401_3
(PROTEASE)		Amprenavir3 / 3
ASP A 263
LEU A 205
ILE A 213
0.88A15.46
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.
2QEO_B_LNRB200_1
(D7R4 PROTEIN)		Norepinephrine5 / 10
GLU A 290
ILE A 136
ARG A 131
ILE A 106
ASP A 197
1.61A17.04
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.
4EB6_C_VLBC503_1
(TUBULIN BETA CHAIN
TUBULIN ALPHA CHAIN)		Vinblastine5 / 12
VAL A 204
PRO A 293
ILE A 259
VAL A 212
ILE A 213
1.35A20.75
21.56
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.
4A7B_A_HAEA1273_1
(COLLAGENASE 3)		Acetohydroxamic Acid4 / 6
LEU A 141
GLU A 166
HIS A 172
HIS A 163
1.62A20.13
None
23H  A 401 (-3.8A)
None
23H  A 401 (-4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 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_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.35A20.23
21.85
23H  A 401 (-3.7A)
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.
5J7W_D_MTXD402_1
(THYMIDYLATE SYNTHASE)		Methotrexate5 / 12
ILE A 259
LEU A 242
LEU A 253
GLY A 251
ALA A 206
1.52A22.69
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.
3EM3_B_478B200_1
(PROTEASE)		Amprenavir6 / 10
LEU A 220
ALA A 260
GLY A 251
LEU A 250
VAL A 212
ILE A 259
1.66A18.02
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.
2HRE_D_CHDD702_0
(FERROCHELATASE)		Cholic Acid3 / 3
ARG A 105
GLY A 183
PRO A 184
1.13A20.11
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.
4OJ4_A_DIFA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Diclofenac4 / 8
CYH A 265
LEU A 250
LEU A 253
ILE A 259
1.19A21.77
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.
2ZM8_A_ACAA512_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		Aminocaproic Acid5 / 10
ALA A 116
TYR A 118
SER A 144
HIS A 163
GLY A 124
1.47A22.22
None
None
23H  A 401 ( 3.7A)
23H  A 401 (-4.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V20_A_ACTA1444_0
(CELLOBIOHYDROLASE)		Acetic acid4 / 5
GLY A 170
HIS A 172
GLY A 138
GLU A 166
1.08A22.82
None
None
None
23H  A 401 (-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.
2X9G_A_LYAA1270_2
(PTERIDINE REDUCTASE)		Pemetrexed3 / 3
MET A   6
VAL A 157
GLU A  14
1.37A24.29
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Q6F_C_010C6_0
(INFECTIOUS
BRONCHITIS VIRUS
(IBV) MAIN PROTEASE
N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE)		Benzyl alcohol3 / 3
ASN A  84
LEU A  86
HIS A 164
1.30A41.03
DMS  A 403 (-4.1A)
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.
4N48_A_SAMA601_0
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		S-Adenosylmethionine6 / 12
GLY A 183
PRO A 184
PHE A 181
ASN A 133
ILE A 106
THR A 111
1.56A21.70
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.
4C5N_A_PXLA300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		Pyridoxal4 / 7
GLY A  29
GLY A 146
VAL A  20
HIS A  41
1.12A20.19
None
None
None
23H  A 401 (-3.7A)
Potential target for repurposing, i.e. matched protein structure has less than 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_B_6V8B304_0
(PROTEASOME SUBUNIT
BETA TYPE-6
PROTEASOME SUBUNIT
BETA TYPE-7)		Ixazomib5 / 12
THR A  26
THR A  25
THR A  24
SER A 144
GLY A 143
1.33A20.72
20.33
None
DMS  A 402 (-4.4A)
DMS  A 402 (-4.2A)
23H  A 401 ( 3.7A)
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.
3DCO_B_TA1B601_1
(BOVINE BETA TUBULIN)		Paclitaxel5 / 12
VAL A 296
ASP A 295
LEU A 242
THR A 243
GLY A 109
1.32A20.34
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.
2HA4_B_ACHB603_0
(ACETYLCHOLINESTERASE)		Acetylcholine4 / 7
TYR A 161
TYR A 118
TYR A 126
GLY A 124
1.65A20.43
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.
5QHH_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.93A21.40
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.
5C8I_A_MZMA302_1
(CARBONIC ANHYDRASE 2)		Methazolamide5 / 12
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.66A23.31
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.
2OAX_D_SNLD4001_1
(MINERALOCORTICOID
RECEPTOR)		Spironolactone5 / 12
LEU A 227
ASN A 231
ALA A 234
LEU A 268
LEU A 202
1.73A22.71
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.
5WAU_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.35A20.23
21.85
23H  A 401 (-3.7A)
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.
1UPF_A_URFA999_1
(URACIL
PHOSPHORIBOSYLTRANSF
ERASE)		Fluorouracil4 / 5
MET A 130
ALA A 129
ILE A 136
ASP A 197
1.59A20.56
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.
4M2V_A_BZ1A302_1
(CARBONIC ANHYDRASE 2)		Brinzolamide5 / 12
LEU A  27
VAL A  20
VAL A  68
LEU A  89
THR A  35
1.44A22.12
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.
2PO5_A_CHDA501_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid5 / 12
LEU A 177
LEU A  86
LEU A  27
VAL A  42
VAL A  18
1.52A20.38
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.
4XTA_A_DIFA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Diclofenac4 / 9
CYH A 265
LEU A 250
LEU A 253
ILE A 259
1.23A22.08
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.
5X1F_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.38A20.23
21.85
23H  A 401 (-3.7A)
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.
4I22_A_IREA9001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Gefitinib6 / 12
LEU A 167
GLY A 170
VAL A 171
ALA A 173
LYS A 137
ASP A 197
1.72A22.31
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.
4BKJ_B_STIB1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		Imatinib5 / 12
ILE A 106
MET A 130
LEU A 167
ALA A 173
PHE A 185
1.48A22.68
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.
2QD4_A_CHDA801_0
(FERROCHELATASE)		Cholic Acid5 / 12
LEU A 177
PHE A 103
LEU A  86
LEU A  27
VAL A  42
1.51A20.11
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.
3ADS_A_IMNA2_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Indomethacin5 / 12
CYH A  22
SER A  65
LEU A  89
LEU A  27
LEU A  57
1.56A21.88
DMS  A 402 (-3.9A)
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.
2PNJ_B_CHDB502_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid4 / 7
ILE A 152
PRO A 122
GLY A  15
MET A  17
1.33A21.91
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.
5M66_B_ADNB502_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine4 / 4
GLN A 110
THR A 111
THR A 201
LEU A 250
1.35A19.76
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.
1WRQ_A_HISA2001_0
(HUT OPERON POSITIVE
REGULATORY PROTEIN)		L-Histidine4 / 6
ARG A 217
ILE A 259
GLY A 258
ALA A 255
1.31A19.74
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.
3MEG_A_T27A561_1
(P66 REVERSE
TRANSCRIPTASE)		Rilpivirine5 / 12
PRO A  39
LEU A  86
VAL A  36
PHE A 159
LEU A 177
1.74A18.18
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.
5IY5_C_CHDC307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
LEU A  30
PHE A 150
PHE A 159
LEU A  32
1.24A21.18
10.85
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.
6AK3_B_P2EB1201_1
(PROSTAGLANDIN E2
RECEPTOR EP3
SUBTYPE,SOLUBLE
CYTOCHROME B562)		Dinoprostone4 / 5
PRO A  99
VAL A 157
GLY A 124
VAL A 148
1.53A19.58
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.
1J96_B_TESB904_1
(3ALPHA-HYDROXYSTEROI
D DEHYDROGENASE TYPE
3)		Testosterone4 / 7
TYR A 161
VAL A  13
HIS A 164
LEU A  86
1.49A21.07
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.
5CR1_A_T44A201_1
(TRANSTHYRETIN)		Levothyroxine4 / 5
LEU A 202
ALA A 206
LEU A 205
VAL A 297
1.36A16.00
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.
2J2P_F_SC2F1291_1
(FICOLIN-2)		Acetylcysteine4 / 6
LEU A  75
SER A  94
ASP A  34
ASP A  33
1.59A21.84
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.
1EQG_B_IBPB1701_1
(PROSTAGLANDIN H2
SYNTHASE-1)		Ibuprofen5 / 11
SER A 139
LEU A 141
TYR A 161
ALA A 116
SER A 147
1.47A18.31
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.
4YDQ_B_HFGB802_0
(PROLINE--TRNA LIGASE)		Halofuginone5 / 12
PHE A 103
VAL A 157
PRO A  99
THR A  98
SER A  94
1.57A20.00
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.
2BTE_A_LEUA1894_0
(AMINOACYL-TRNA
SYNTHETASE)		L-Leucine4 / 8
SER A 144
TYR A 161
HIS A 172
HIS A 163
1.32A15.29
23H  A 401 ( 3.7A)
None
None
23H  A 401 (-4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5QH0_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.96A21.40
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.
2F8L_A_SAMA400_0
(HYPOTHETICAL PROTEIN
LMO1582)		S-Adenosylmethionine5 / 12
ALA A 255
GLY A 258
VAL A 261
ASP A 263
GLY A 251
1.41A19.94
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.
3EKY_A_DR7A100_1
(PROTEASE)		Atazanavir5 / 10
ARG A 279
ASP A 216
GLY A 215
ALA A 211
ILE A 281
1.45A16.96
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.
5HPU_A_IPHA101_0
(INSULIN, CHAIN A
INSULIN, CHAIN B)		Phenol4 / 4
CYH A 265
LEU A 250
LEU A 205
ALA A 206
1.64A6.82
8.71
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.
1MMK_A_H4BA1427_1
(PHENYLALANINE-4-HYDR
OXYLASE)		Sapropterin5 / 12
TYR A 118
LEU A 141
GLU A 166
HIS A 172
TYR A 126
1.63A20.81
None
None
23H  A 401 (-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.
3BJW_C_SVRC507_1
(PHOSPHOLIPASE A2)		Suramin4 / 7
VAL A 114
VAL A 125
GLY A 124
LYS A  12
1.38A17.10
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.
2G72_B_SAMB2002_0
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
THR A 175
VAL A  20
CYH A  38
VAL A  42
TYR A  54
1.52A21.87
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.
3AG2_C_CHDC271_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
LEU A  30
PHE A 150
PHE A 159
LEU A  32
1.29A21.85
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.
3MSS_A_STIA1_1
(TYROSINE-PROTEIN
KINASE ABL1)		Imatinib5 / 12
TYR A 209
ALA A 211
MET A 276
LEU A 220
ALA A 267
1.38A21.36
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.
1JFF_B_TA1B601_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
VAL A 296
ASP A 295
LEU A 242
THR A 243
GLY A 109
1.32A20.34
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.
5X1F_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.32A20.23
21.85
23H  A 401 (-3.7A)
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.
3CE6_A_ADNA500_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine4 / 5
GLN A 110
THR A 111
THR A 201
LEU A 250
1.32A21.05
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.
2JN3_A_JN3A131_1
(FATTY ACID-BINDING
PROTEIN, LIVER)		Ursodeoxycholic acid5 / 12
VAL A 114
PHE A 150
THR A 175
LEU A 177
VAL A  13
1.44A17.11
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.
4HBF_A_DXCA75_0
(PPCA)		Deoxycholic Acid4 / 7
ILE A  59
LEU A  58
LYS A  90
GLY A  79
1.30A10.77
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.
1QZZ_A_ACTA421_0
(ACLACINOMYCIN-10-HYD
ROXYLASE)		Acetic acid5 / 8
TYR A 118
GLY A 146
GLY A 143
LEU A  27
SER A 147
1.68A22.56
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.
1RU9_H_BEZH601_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		Benzoic Acid5 / 9
LEU A 177
GLY A 179
PHE A 181
GLY A 174
TYR A 161
1.78A22.86
20.97
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.
5V0V_A_8QSA614_1
(SERUM ALBUMIN)		Etodolac5 / 8
ALA A 206
LEU A 268
LEU A 208
ALA A 267
ALA A 211
1.50A17.47
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.
4WRZ_A_URFA302_1
(URACIL-DNA
GLYCOSYLASE)		Fluorouracil4 / 8
GLY A 146
TYR A 118
ASN A  28
HIS A 163
1.40A22.44
None
None
None
23H  A 401 (-4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J24_A_ESTA600_1
(ESTROGEN RECEPTOR
BETA)		Estradiol5 / 12
LEU A 205
LEU A 202
LEU A 253
ILE A 259
LEU A 262
1.49A20.25
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.
5QH4_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.94A21.40
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.
3VAQ_A_ADNA401_1
(PUTATIVE ADENOSINE
KINASE)		Adenosine6 / 12
ILE A 281
LEU A 208
GLY A 275
ASN A 277
LEU A 268
GLY A 278
1.77A20.25
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.
3BJW_G_SVRG506_1
(PHOSPHOLIPASE A2)		Suramin4 / 8
VAL A 114
VAL A 125
GLY A 124
LYS A  12
1.43A17.10
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.
5B2T_A_ACTA108_0
(CRISPR-ASSOCIATED
ENDONUCLEASE CAS9
GUIDE RNA)		Acetic acid3 / 3
VAL A 186
THR A 190
ARG A 188
1.14A12.59
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.
3AX7_B_SALB1336_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		Salicylic acid5 / 9
PHE A 230
THR A 201
VAL A 204
LEU A 208
ALA A 266
1.73A13.66
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.
3FW3_B_ETSB303_1
(CARBONIC ANHYDRASE 4)		Dorzolamide5 / 12
ASN A 231
HIS A 246
VAL A 261
LEU A 205
THR A 201
1.54A20.76
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.
4M2U_A_ETSA302_1
(CARBONIC ANHYDRASE 2)		Dorzolamide5 / 12
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.61A22.99
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.
4R38_B_RBFB201_2
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		Riboflavin4 / 8
THR A  98
LEU A  30
VAL A  68
LEU A  75
1.17A19.19
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.
4FR0_A_SAMA401_0
(ARSENIC
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY A  29
GLY A 146
LEU A  27
VAL A  36
LEU A  89
1.37A19.84
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.
2DYR_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.36A20.23
21.85
23H  A 401 (-3.7A)
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.
4EIL_G_FOLG703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		Folic Acid5 / 10
VAL A  20
MET A 162
PHE A 181
LEU A  86
THR A  25
1.62A20.07
None
None
None
None
DMS  A 402 (-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.
4HFP_D_15UD402_1
(PROTHROMBIN)		Argatroban5 / 12
TYR A 239
LEU A 268
ALA A 210
GLU A 288
ALA A 206
1.38A19.70
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.
3S54_B_017B201_1
(PROTEASE)		Darunavir5 / 12
LEU A 220
GLY A 215
ALA A 211
VAL A 296
ILE A 259
1.23A15.46
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.
5KIR_A_RCXA601_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		Rofecoxib3 / 3
ARG A 279
ILE A 281
PHE A 219
1.13A18.57
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.
3G1U_D_ADND438_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
HIS A  41
LEU A  27
GLY A 146
HIS A 163
PHE A 181
1.71A20.45
23H  A 401 (-3.7A)
None
None
23H  A 401 (-4.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AQU_B_DR7B300_1
(HIV-1 PROTEASE)		Atazanavir5 / 10
ARG A 279
ASP A 216
GLY A 215
ALA A 211
ILE A 281
1.53A16.61
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.
2YQZ_A_SAMA301_0
(HYPOTHETICAL PROTEIN
TTHA0223)		S-Adenosylmethionine5 / 12
GLY A 174
ILE A 136
ASP A 187
HIS A 172
LEU A 167
1.27A19.25
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.
2COJ_B_GBNB420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		Gabapentin5 / 9
TYR A 126
VAL A 114
MET A 130
THR A 135
ALA A 173
1.70A22.88
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.
3OND_A_ADNA506_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine3 / 3
GLN A 110
THR A 111
LEU A 250
0.69A22.38
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.
2DYS_C_CHDC304_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 6
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.35A20.23
21.85
23H  A 401 (-3.7A)
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.
4Y8W_C_STRC603_2
(CYTOCHROME P450
21-HYDROXYLASE)		Progesterone3 / 3
LEU A  67
VAL A  91
ASP A  92
0.96A21.09
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.
6ELI_A_T27A701_1
(REVERSE
TRANSCRIPTASE)		Rilpivirine5 / 12
PRO A  39
LEU A  86
VAL A  36
PHE A 159
LEU A 177
1.69A18.20
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.
5WAU_C_CHDC303_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.35A21.85
20.23
23H  A 401 (-3.7A)
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.
3MS9_A_STIA1_1
(TYROSINE-PROTEIN
KINASE ABL1)		Imatinib5 / 12
TYR A 209
ALA A 211
MET A 276
LEU A 220
ALA A 267
1.38A21.36
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.
3EBZ_B_017B201_2
(PROTEASE)		Darunavir5 / 11
LEU A 220
GLY A 215
ALA A 211
VAL A 296
ILE A 259
1.14A15.86
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.
5EEW_L_TRPL101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan4 / 8
SER A 144
GLY A 138
HIS A 172
ALA A 116
1.08A13.89
23H  A 401 ( 3.7A)
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.
6GQI_A_ACTA604_0
(CYCLOHEXANONE
MONOOXYGENASE FROM
THERMOCRISPUM
MUNICIPALE)		Acetic acid4 / 6
PRO A 108
ILE A 136
GLY A 109
GLU A 290
1.69A18.57
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.
2EGV_A_SAMA1300_0
(UPF0088 PROTEIN
AQ_165)		S-Adenosylmethionine6 / 12
LEU A 253
VAL A 296
LEU A 250
LEU A 202
THR A 292
ALA A 206
1.68A18.95
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.
1DMA_B_NCAB700_0
(EXOTOXIN A)		Nicotinamide4 / 6
HIS A 134
GLY A 183
ALA A 173
TYR A 182
1.45A20.33
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.
1A4L_A_DCFA353_2
(ADENOSINE DEAMINASE)		Pentostatin4 / 5
LEU A  32
LEU A  30
SER A  10
LEU A 115
1.20A21.02
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.
5HRQ_A_IPHA101_0
(INSULIN A-CHAIN
INSULIN B-CHAIN)		Phenol4 / 5
CYH A  38
HIS A 163
LEU A  27
HIS A 164
1.68A6.82
8.71
None
23H  A 401 (-4.1A)
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.
2V0G_A_LEUA1887_0
(AMINOACYL-TRNA
SYNTHETASE)		L-Leucine4 / 8
SER A 144
TYR A 161
HIS A 172
HIS A 163
1.41A15.29
23H  A 401 ( 3.7A)
None
None
23H  A 401 (-4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 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 A 288
VAL A 204
VAL A 296
ALA A 210
1.47A18.63
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.
6AY6_A_VORA501_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		Voriconazole5 / 9
TYR A 209
ALA A 266
THR A 225
LEU A 262
LEU A 242
1.58A18.87
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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)		Baclofen4 / 8
SER A 147
SER A 144
TYR A 126
GLU A 166
1.68A23.13
None
23H  A 401 ( 3.7A)
None
23H  A 401 (-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.
5ZCQ_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.37A20.23
21.85
23H  A 401 (-3.7A)
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.
2V41_G_BEZG1222_0
(PEROXIREDOXIN 6.)		Benzoic Acid4 / 8
PRO A 108
GLU A 290
ALA A 129
PRO A 132
1.41A19.42
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.
3WG7_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
LEU A  30
PHE A 150
PHE A 159
LEU A  32
1.27A21.85
10.81
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.
4R3A_B_RBFB402_2
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		Riboflavin5 / 12
ARG A 217
ILE A 213
ILE A 281
LEU A 282
GLY A   2
1.26A20.72
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.
1CBS_A_REAA200_1
(CELLULAR RETINOIC
ACID BINDING PROTEIN
TYPE II)		Tretinoin5 / 12
LEU A 167
ILE A 136
ALA A 173
THR A 175
TYR A  54
1.34A18.39
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.
5HRQ_G_IPHG101_0
(INSULIN A-CHAIN
INSULIN B-CHAIN)		Phenol4 / 6
LEU A  58
CYH A  38
HIS A  80
LEU A  89
1.33A8.71
6.82
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.
2TSR_B_D16B409_1
(THYMIDYLATE SYNTHASE)		Raltitrexed4 / 8
ILE A 281
LEU A 268
PHE A 219
TYR A 237
1.24A21.35
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.
3AQI_B_CHDB6_0
(FERROCHELATASE)		Cholic Acid5 / 12
LEU A  30
MET A  17
ILE A 136
HIS A 164
VAL A  20
1.66A20.38
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		Ampicillin4 / 8
GLU A 166
HIS A 163
SER A 144
TYR A 118
1.49A17.34
23H  A 401 (-3.8A)
23H  A 401 (-4.1A)
23H  A 401 ( 3.7A)
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.
5XDQ_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.36A20.23
21.85
23H  A 401 (-3.7A)
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.
5JNA_C_TORC302_1
(CARBONIC ANHYDRASE 4)		Topiramate5 / 11
ASN A 231
HIS A 246
VAL A 261
LEU A 205
THR A 201
1.50A20.76
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.
3S54_B_017B201_2
(PROTEASE)		Darunavir5 / 12
LEU A 220
GLY A 215
ALA A 211
VAL A 296
ILE A 259
1.20A15.46
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.
5ND3_B_TA1B601_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel5 / 12
VAL A 296
ASP A 295
LEU A 268
LEU A 208
ALA A 210
1.34A20.34
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.
3MG0_N_BO2N1404_1
(PROTEASOME COMPONENT
PRE3)		Bortezomib5 / 11
THR A  26
THR A  25
THR A  24
SER A 144
GLY A 143
1.33A22.15
None
DMS  A 402 (-4.4A)
DMS  A 402 (-4.2A)
23H  A 401 ( 3.7A)
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.
4QVY_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2)		Bortezomib5 / 11
THR A 135
CYH A 128
ALA A 173
GLY A 174
THR A 175
1.44A20.26
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.
1V55_P_CHDP4525_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE III)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.32A21.85
20.23
23H  A 401 (-3.7A)
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.
4IQQ_A_D16A402_1
(THYMIDYLATE SYNTHASE)		Raltitrexed4 / 7
ILE A 281
LEU A 268
PHE A 219
TYR A 237
1.35A21.05
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.
2Y05_A_RALA802_1
(PROSTAGLANDIN
REDUCTASE 1)		Raloxifene4 / 7
VAL A  68
ASN A  28
GLY A 146
VAL A  42
1.00A21.74
None