PDB ID: 1uk4


Macromolecule:
3C-LIKE PROTEINASE

Source Organism:
SARSr-CoV

Gene names:
-

UniProt ID:
P0C6X7

SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '1uk4'

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.
1YDD_A_AZMA264_1
(CARBONIC ANHYDRASE
II)		Acetazolamide5 / 10
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.44A22.78
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.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		Doxercalciferol4 / 5
ALA A 116
LEU A 141
GLY B 302
THR B 292
1.28A21.31
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.
1GFZ_A_CFFA940_1
(GLYCOGEN
PHOSPHORYLASE)		Caffeine4 / 6
PHE B 140
ALA B 116
GLY B 124
TYR B 126
1.13A16.47
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.
4FO4_B_MOAB502_1
(INOSINE
5'-MONOPHOSPHATE
DEHYDROGENASE)		Mycophenolic acid4 / 8
ASN A 151
THR A 292
MET A 130
GLY A 109
1.15A24.67
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.
4AC0_A_MIYA1204_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS B FROM
TRANSPOSON TN1 0)		Minocycline5 / 12
PRO B  39
THR B  25
LEU B  27
GLN H   5
LEU B 141
1.39A22.04
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.
3G1U_B_ADNB438_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
HIS B  41
THR H   3
GLY B 146
HIS B 163
PHE B 181
1.27A20.19
None
None
None
ATO  B2006 ( 4.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3F4X_A_KLTA300_1
(CARBONIC ANHYDRASE 2)		Chlorthalidone5 / 12
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.41A23.24
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.
2W3A_A_TOPA1190_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim5 / 11
PHE A 185
PHE A 181
THR G   3
PRO A 168
TYR A  54
1.57A18.53
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.
5NWV_A_ACAA18_2
(SCRFP-TAG,GP41)		Aminocaproic Acid4 / 7
GLN H   5
LEU H   4
ASP B 187
LEU B  58
1.55A12.50
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.
1KT4_A_RTLA184_0
(PLASMA
RETINOL-BINDING
PROTEIN)		Vitamin A5 / 12
LEU B 262
LEU B 250
ALA B 210
ALA B 206
VAL B 247
1.59A20.33
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.
2W3B_B_FOLB401_1
(DIHYDROFOLATE
REDUCTASE)		Folic Acid3 / 3
GLU A 290
GLN A 299
ARG A 298
1.17A18.53
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.
5IGY_A_ERYA403_0
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		Erythromycin5 / 12
HIS B 164
GLU B 178
PHE B 181
ALA B 173
PHE B 103
1.59A20.42
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.
5JNC_A_6LHA302_0
(CARBONIC ANHYDRASE 4)		Mafenide5 / 11
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.42A19.29
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.
4K0Z_A_MZMA308_1
(CARBONIC ANHYDRASE 2)		Methazolamide5 / 12
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.40A23.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E7B_A_HLTA4003_1
(SERUM ALBUMIN)		Halothane5 / 9
PHE B 150
VAL B 148
GLY B 149
CYH B 160
LEU B  30
1.52A18.70
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.
1MXF_B_MTXB2278_1
(PTERIDINE REDUCTASE
2)		Methotrexate5 / 11
LEU B 141
TYR B 118
LEU H   4
PRO B  39
THR B 175
1.79A19.38
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.
1MJQ_G_SAMG199_0
(METHIONINE REPRESSOR)		S-Adenosylmethionine5 / 10
GLU B 166
LEU B 167
PRO B 168
ALA B 173
GLY B 183
1.59A15.90
ATO  B2006 (-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.
3MS9_B_STIB1_1
(TYROSINE-PROTEIN
KINASE ABL1)		Imatinib5 / 12
LEU B 253
VAL B 296
ALA B 210
ILE B 286
ASP B 289
1.41A21.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTF_U_TRPU81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))		L-Tryptophan5 / 11
GLY A 146
HIS A 163
HIS A 164
HIS A 172
SER G   2
1.63A13.71
None
ATO  A1006 (-4.2A)
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.
6BCC_A_EZLA302_1
(CARBONIC ANHYDRASE 2)		Ethoxzolamide5 / 12
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.37A23.24
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.
5EEW_M_TRPM101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 9
GLY A 146
HIS A 163
HIS A 164
HIS A 172
SER G   2
1.60A13.71
None
ATO  A1006 (-4.2A)
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.
6CI6_A_NBOA606_1
(SERUM ALBUMIN)		Nabumetone5 / 12
PHE B 150
VAL B 148
GLY B 149
CYH B 160
LEU B  30
1.50A17.24
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.
6B1E_A_LF7A801_1
(DIPEPTIDYL PEPTIDASE
4)		Vildagliptin5 / 11
ARG B 298
TYR A 118
VAL A 114
TYR A 126
VAL A 125
1.77A16.29
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.
4QTU_D_SAMD301_1
(PUTATIVE
METHYLTRANSFERASE
BUD23)		S-Adenosylmethionine4 / 5
LEU B 282
SER B 284
ASP B 289
ASP B 197
1.34A21.00
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.
4XDR_A_ADNA402_1
(FAD:PROTEIN FMN
TRANSFERASE)		Adenosine5 / 12
LEU A 115
VAL A  13
GLY A 149
PRO B   9
VAL B 125
1.33A23.53
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.
4FGJ_A_1PQA304_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		Primaquine4 / 8
GLN B 256
ILE B 213
GLY B 302
ASN A 142
1.14A22.29
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.
5X1F_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
LEU H   4
TYR B 161
THR B 135
LEU B 167
1.58A7.25
17.65
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VL2_A_BEZA1162_0
(PEROXIREDOXIN-5)		Benzoic Acid5 / 10
PRO A  39
GLY A  29
CYH A  38
LEU G   4
GLY A 143
1.52A22.30
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.
4UW0_A_SAMA1506_0
(WBDD)		S-Adenosylmethionine5 / 12
GLY B 149
GLN B 127
ARG A   4
LEU B 177
ILE B 136
1.39A19.58
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.
3N2O_C_AG2C1002_1
(BIOSYNTHETIC
ARGININE
DECARBOXYLASE)		Agmatine4 / 8
SER A 284
LEU A 271
TRP A 218
ASP A 216
1.14A19.31
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.
3DD1_A_CFFA903_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)		Caffeine4 / 6
PHE B 140
ALA B 116
GLY B 124
TYR B 126
1.13A16.39
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.
4UOV_A_AZMA299_1
(CARBONATE
DEHYDRATASE)		Acetazolamide5 / 11
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.44A21.45
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.
4HWK_C_SFYC804_0
(SEPIAPTERIN
REDUCTASE)		Sulfapyridine5 / 12
LEU A 253
SER A 301
CYH A 300
PHE A   3
ALA A 206
1.73A23.87
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.
4CCQ_A_ACTA1317_0
(THIOREDOXIN
REDUCTASE)		Acetic acid3 / 3
LEU H   4
GLU B 166
SER H   2
1.15A1.61
None
ATO  B2006 (-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.
1L7X_A_CFFA863_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)		Caffeine4 / 6
PHE B 140
ALA B 116
GLY B 124
TYR B 126
1.11A16.53
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.
3DDS_A_CFFA904_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)		Caffeine4 / 6
PHE B 140
ALA B 116
GLY B 124
TYR B 126
1.13A16.39
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.
5M35_A_BEZA302_0
(14-3-3 PROTEIN
ZETA/DELTA)		Benzoic Acid4 / 5
THR G   3
MET A  49
GLN A 189
ARG A 188
1.72A2.31
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.
4OR0_A_NPSA601_1
(SERUM ALBUMIN)		Naproxen5 / 11
PHE B 150
VAL B 148
GLY B 149
CYH B 160
LEU B  30
1.50A19.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2J7X_A_ESTA1454_1
(ESTROGEN RECEPTOR
BETA)		Estradiol5 / 12
LEU B  30
LEU B 177
ILE B 136
GLY B 174
HIS B 163
1.62A19.75
None
None
None
None
ATO  B2006 ( 4.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FJP_A_NPSA711_1
(LACTOTRANSFERRIN)		Naproxen4 / 6
THR B  98
GLY B  15
ASN B  95
GLY B  29
1.26A21.70
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.
3OI8_A_ADNA2_1
(UNCHARACTERIZED
PROTEIN)		Adenosine4 / 6
ILE B 249
HIS B 246
LEU B 250
ASP B 248
1.39A21.43
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.
5EF2_M_TRPM101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 9
GLY A 146
HIS A 163
HIS A 164
HIS A 172
SER G   2
1.60A13.71
None
ATO  A1006 (-4.2A)
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.
5M8N_D_MMSD515_1
(5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE)		Mimosine5 / 9
HIS A  41
HIS A 163
LEU A 167
THR G   3
SER G   2
1.78A20.66
None
ATO  A1006 (-4.2A)
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.
3HY7_A_097A801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		Marimastat5 / 9
LEU A 242
THR A 201
GLU A 240
ILE A 249
LEU A 250
1.30A21.14
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.
3B9L_A_AZZA1009_1
(SERUM ALBUMIN)		Zidovudine4 / 8
SER H   2
GLN B 189
HIS B  41
CYH B  44
1.34A6.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BCR_A_AZZA940_1
(GLYCOGEN
PHOSPHORYLASE,
MUSCLE FORM)		Zidovudine4 / 5
PHE B 140
ALA B 116
GLY B 124
TYR B 126
1.13A16.47
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.
1T7I_A_017A200_1
(POL POLYPROTEIN)		Darunavir5 / 10
LEU H   4
GLY B 174
ALA B 173
GLY B 138
THR H   3
1.43A16.67
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.
4QOI_A_ML1A303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		Melatonin4 / 8
PHE A   3
TYR B 126
PHE B 140
GLY A 302
1.29A22.26
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.
2OK6_H_BEZH2001_0
(AROMATIC AMINE
DEHYDROGENASE, LARGE
SUBUNIT
AROMATIC AMINE
DEHYDROGENASE, SMALL
SUBUNIT)		Benzoic Acid5 / 10
PHE B  66
ASN B  63
GLN K   5
GLY B  79
LEU B  89
1.68A19.05
16.94
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.
4M2U_A_ETSA302_1
(CARBONIC ANHYDRASE 2)		Dorzolamide5 / 12
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.38A22.92
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.
4QZU_B_RTLB201_0
(RETINOL-BINDING
PROTEIN 2)		Vitamin A5 / 12
PHE B 181
ALA B 173
GLN B 192
THR B 190
LEU H   4
1.16A19.51
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.
4M2R_A_BZ1A302_1
(CARBONIC ANHYDRASE 2)		Brinzolamide5 / 12
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.42A22.92
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.
4AMJ_B_CVDB1360_1
(BETA-1 ADRENERGIC
RECEPTOR)		Carvedilol5 / 12
LEU A 141
VAL B 125
PHE B   8
PHE B 150
ASN B 151
1.54A20.51
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.
1XDK_B_9CRB600_1
(RETINOIC ACID
RECEPTOR, BETA)		Alitretinoin5 / 12
PHE A 230
ALA A 234
LEU A 287
LEU A 272
LEU A 208
1.15A19.22
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.
5VC0_A_RITA602_2
(CYTOCHROME P450 3A4)		Ritonavir4 / 7
ARG B   4
ILE A 136
PHE A 150
THR A 292
1.36A22.11
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.
5DZK_S_BEZS801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		Benzoic Acid4 / 6
SER B 284
MET B 276
LEU B 282
LEU B 208
1.62A22.61
3.45
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.
3FRQ_B_ERYB195_0
(REPRESSOR PROTEIN
MPHR(A))		Erythromycin5 / 12
THR A 111
VAL A 296
LEU A 282
ILE A 200
ILE A 281
1.21A21.04
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.
1YDB_A_AZMA264_1
(CARBONIC ANHYDRASE
II)		Acetazolamide5 / 11
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.40A22.78
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.
5JNA_B_TORB302_1
(CARBONIC ANHYDRASE 4)		Topiramate5 / 12
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.44A19.29
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.
6MA6_A_MYTA603_0
(CYTOCHROME P450 3A4)		Metyrapone4 / 6
SER G   2
ALA A 173
THR A 135
ALA A 193
1.55A2.22
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.
5WQP_A_NCAA302_0
(PROBABLE
DEHYDROGENASE)		Nicotinamide4 / 8
SER A 144
GLN G   5
HIS A 163
MET B   6
1.08A21.02
ATO  A1006 ( 4.4A)
ATO  A1006 (-4.6A)
ATO  A1006 (-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.
4K0S_A_AZMA302_1
(CARBONIC ANHYDRASE 2)		Acetazolamide5 / 11
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.40A23.56
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.
4ZE2_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Itraconazole6 / 12
GLY A 179
LEU A  89
GLY A  23
THR A  25
LEU A  27
HIS A 164
1.60A19.85
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.
1OE2_A_CUA502_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		Copper3 / 3
GLU B 166
HIS B 163
HIS B 172
1.23A22.99
ATO  B2006 (-3.7A)
ATO  B2006 ( 4.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Z9Y_A_FUNA500_1
(CARBONIC ANHYDRASE
II)		Furosemide5 / 12
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.41A23.08
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.
2OK6_D_BEZD2002_0
(AROMATIC AMINE
DEHYDROGENASE, LARGE
SUBUNIT
AROMATIC AMINE
DEHYDROGENASE, SMALL
SUBUNIT)		Benzoic Acid5 / 9
PHE B  66
ASN B  63
GLN K   5
GLY B  79
LEU B  89
1.69A19.05
16.94
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.
5C8I_A_MZMA302_1
(CARBONIC ANHYDRASE 2)		Methazolamide5 / 12
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.44A23.24
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.
2BXM_A_IMNA2001_1
(SERUM ALBUMIN)		Indomethacin4 / 8
SER H   2
ALA B 173
ARG B  40
LEU B  27
1.00A6.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WYQ_A_SAMA401_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		S-Adenosylmethionine6 / 12
PRO B 122
GLY B  11
GLY B  15
SER B 123
GLY A  11
PRO A   9
1.71A21.43
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.
5VKQ_C_PCFC1805_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		Colfosceril palmitate5 / 9
GLY A 146
LEU A  27
LEU A  75
VAL A  20
LEU A  86
1.31A10.94
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.
4ZVM_B_DM2B303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		Epirubicin5 / 11
GLN A 299
PHE B 140
GLY A 283
GLU A 288
ILE A 281
1.57A21.90
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.
1ZGF_A_TRUA300_1
(CARBONIC ANHYDRASE
II)		Trichlormethiazide5 / 12
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.42A23.08
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.
4J7U_D_YTZD802_1
(SEPIAPTERIN
REDUCTASE)		Sulfathiazole4 / 8
LEU B 205
CYH B 265
PHE B 230
GLN B 244
1.32A23.87
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.
6FGC_A_ACTA813_0
(GEPHYRIN)		Acetic acid3 / 3
THR A 201
ALA A 234
LYS A 236
1.23A22.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FO4_A_MOAA502_1
(INOSINE
5'-MONOPHOSPHATE
DEHYDROGENASE)		Mycophenolic acid4 / 8
ASN A 151
THR A 292
MET A 130
GLY A 109
1.17A24.67
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.
1CMC_B_SAMB105_0
(MET REPRESSOR)		S-Adenosylmethionine5 / 10
LEU H   4
GLU B 166
LEU B 167
ALA B 173
GLY B 183
1.71A25.00
None
ATO  B2006 (-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.
5X6Y_A_SAMA901_0
(MRNA CAPPING ENZYME
P5)		S-Adenosylmethionine5 / 11
VAL A 171
GLY A 170
GLU A 166
SER G   2
ALA A 194
1.71A15.15
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.
3N58_C_ADNC500_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
HIS B  41
THR H   3
GLY B 146
HIS B 163
PHE B 181
1.27A21.73
None
None
None
ATO  B2006 ( 4.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N0W_B_SAMB501_1
(PEPTIDE
N-METHYLTRANSFERASE)		S-Adenosylmethionine4 / 5
TYR A 126
SER A 123
ALA A 116
GLN G   5
1.53A21.85
None
None
None
ATO  A1006 (-4.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1CLA_A_CLMA221_0
(TYPE III
CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol5 / 10
PHE B 140
ASN A 214
ALA A 211
LEU A 253
ILE A 213
1.50A24.59
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.
3QXV_C_MTXC2000_1
(ANTI-METHOTREXATE
CDR1-4 GRAFT VHH)		Methotrexate5 / 11
VAL A 114
ALA A 116
SER A 139
ARG B 298
TYR A 118
1.74A20.14
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.
5EEV_M_TRPM101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 9
GLY A 146
HIS A 163
HIS A 164
HIS A 172
SER G   2
1.59A13.71
None
ATO  A1006 (-4.2A)
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.
2A1N_A_CAMA1422_0
(CYTOCHROME P450-CAM)		Camphor5 / 11
PHE A 181
THR G   3
THR A 175
GLY A 146
ASP A 187
1.54A20.79
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.
4AZS_A_SAMA1475_1
(METHYLTRANSFERASE
WBDD)		S-Adenosylmethionine3 / 3
ARG A 131
ASP A 295
GLN A 299
1.24A19.26
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.
6BRD_B_RFPB502_2
(RIFAMPIN
MONOOXYGENASE)		Rifampicin4 / 6
GLN G   5
VAL A 114
ARG A  40
PRO A  39
1.62A3.97
ATO  A1006 (-4.6A)
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.
3A6J_A_CRNA303_1
(CREATININE
AMIDOHYDROLASE)		Creatine4 / 8
GLU B 166
HIS B 172
TYR B 118
HIS B 163
1.62A22.61
ATO  B2006 (-3.7A)
None
None
ATO  B2006 ( 4.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EM0_B_CHDB500_0
(ILEAL BILE
ACID-BINDING PROTEIN)		Cholic Acid4 / 7
LYS A   5
GLU A 288
SER A 284
VAL A 204
1.08A19.13
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.
2CP4_A_CAMA416_0
(CYTOCHROME P450-CAM)		Camphor5 / 10
PHE A 181
THR G   3
THR A 175
GLY A 146
ASP A 187
1.55A20.56
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.
3K9F_H_LFXH0_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B)		Levofloxacin4 / 6
SER G   2
ARG B   4
GLY B   2
GLU A 290
1.56A0.95
2.87
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.
3FI0_P_TRPP1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		L-Tryptophan4 / 7
GLN B 192
VAL B 186
ASP B 187
GLN B 189
1.40A20.74
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.
6C2M_C_SUEC1203_0
(NS3 PROTEASE)		Grazoprevir5 / 12
VAL A 296
ASP A 295
ARG B   4
PHE A 112
ALA A 129
1.20A23.13
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.
4TVT_A_ASCA303_0
(THAUMATIN-1)		Vitamin C4 / 7
LEU A 115
GLU A  14
SER A  10
VAL B  13
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.
3V4T_E_ACTE503_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		Acetic acid3 / 3
GLN B  83
THR B 175
ASN B  84
1.53A22.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RHW_A_IVMA348_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 12
ILE A 106
ILE A 136
GLY A 109
THR A 292
PHE A 294
1.55A24.32
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QQD_A_AG2A671_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE (EC
4.1.1.19) (PVLARGDC))		Agmatine4 / 7
LEU H   4
LEU B  27
ILE B  43
MET B  49
1.51A40.00
5.88
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.
2X9G_A_LYAA1270_2
(PTERIDINE REDUCTASE)		Pemetrexed3 / 3
MET A   6
VAL A 157
GLU A  14
1.26A24.15
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.
5L7I_A_VISA1202_1
(SMOOTHENED
HOMOLOG,SOLUBLE
CYTOCHROME
B562,SMOOTHENED
HOMOLOG)		Vismodegib5 / 12
SER B   1
GLN A 189
PHE A 185
ASN A 142
LEU A 141
1.66A20.87
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.
3OU6_B_SAMB300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU B 141
GLY B 170
GLY B 138
SER B 139
ALA B 193
1.27A20.86
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.
2JN3_A_JN3A130_1
(FATTY ACID-BINDING
PROTEIN, LIVER)		Ursodeoxycholic acid5 / 12
LEU A 253
ALA A 210
GLN A 299
ILE A 249
LEU A 250
1.37A17.45
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.
2W03_B_ADNB1588_1
(ACSD)		Adenosine5 / 10
HIS A 164
PRO A  39
SER G   2
HIS A 163
GLN G   5
1.19A18.82
None
None
None
ATO  A1006 (-4.2A)
ATO  A1006 (-4.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KWA_A_SPMA300_1
(CARBONIC ANHYDRASE 2)		Spermine5 / 11
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.42A23.24
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.
3AIA_B_SAMB206_0
(UPF0217 PROTEIN
MJ1640)		S-Adenosylmethionine4 / 5
SER G   2
GLY A 174
GLU A 166
CYH A 145
1.67A10.81
None
None
None
ATO  A1006 (-1.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1O86_A_LPRA702_1
(ANGIOTENSIN
CONVERTING ENZYME)		Lisinopril5 / 12
GLU B 290
HIS B 172
HIS B 163
GLU B 166
LYS A   3
1.77A18.01
None
None
ATO  B2006 ( 4.6A)
ATO  B2006 (-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.
3CLA_A_CLMA221_0
(TYPE III
CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol5 / 9
ALA A 173
PHE A 181
SER G   2
VAL A  42
TYR A  54
1.75A25.25
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.
1EII_A_RTLA135_1
(CELLULAR
RETINOL-BINDING
PROTEIN II)		Vitamin A4 / 7
GLN G   5
SER A 144
TYR A 161
GLN A 192
1.71A11.36
ATO  A1006 (-4.6A)
ATO  A1006 ( 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.
1HK3_A_T44A3002_1
(SERUM ALBUMIN)		Levothyroxine4 / 8
GLN K   5
LEU B  89
LEU B  58
SER B  65
1.52A6.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KLA_A_CHDA502_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid5 / 8
LEU A 202
LEU A 205
LEU A 208
ILE A 249
VAL A 296
1.52A20.48
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.
1FO4_B_SALB4005_1
(XANTHINE
DEHYDROGENASE)		Salicylic acid4 / 7
GLU A 290
THR A 135
VAL A 171
ALA A 129
1.42A13.65
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TVT_A_ASCA301_0
(THAUMATIN-1)		Vitamin C3 / 3
THR G   3
ASN G   1
SER G   2
1.50A7.94
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.
3HS4_A_AZMA701_1
(CARBONIC ANHYDRASE 2)		Acetazolamide5 / 11
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.42A23.24
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.
5M0I_B_ACTB303_0
(SWI5-DEPENDENT HO
EXPRESSION PROTEIN 2)		Acetic acid4 / 5
VAL B 171
THR B 135
ASN B 133
ASP B 197
1.49A22.36
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.
1T03_P_TFOP822_1
(POL POLYPROTEIN
SYNTHETIC
OLIGONUCLEOTIDE
PRIMER)		Tenofovir4 / 7
TYR B 154
ASP B 155
ASP B 153
LYS B 102
1.75A18.29
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		Calcipotriol5 / 12
LEU H   4
LEU B 141
CYH B 128
LEU B  86
LEU B 177
1.42A2.00
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.
3K9F_H_LFXH0_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B)		Levofloxacin4 / 6
SER A 144
ARG B   4
GLY B   2
GLU A 290
1.53A21.54
19.80
ATO  A1006 ( 4.4A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1L5Q_A_CFFA863_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)		Caffeine4 / 6
PHE B 140
ALA B 116
GLY B 124
TYR B 126
1.14A16.53
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.
3KO0_B_TFPB202_2
(PROTEIN S100-A4)		Trifluoperazine4 / 6
SER A 158
PHE A 150
ILE A 152
PHE A 294
1.38A16.27
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.
5M66_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
HIS B  41
THR H   3
GLY B 146
HIS B 163
PHE B 181
1.19A19.64
None
None
None
ATO  B2006 ( 4.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F38_A_15MA325_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		Bimatoprost5 / 12
TYR A 182
SER A 147
LEU A  30
PHE A 150
TYR A 126
1.80A19.72
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.
6FGD_A_ACTA817_0
(GEPHYRIN)		Acetic acid3 / 3
THR A 201
ALA A 234
LYS A 236
1.17A22.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F3N_B_ADNB505_1
(-)		Adenosine5 / 12
HIS B  41
THR H   3
GLY B 146
HIS B 163
PHE B 181
1.25A21.24
None
None
None
ATO  B2006 ( 4.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IFU_A_GBMA801_1
(PROLINE--TRNA LIGASE)		Glyburide5 / 12
PHE B 112
TYR B 161
LEU H   4
GLU B 166
TYR B 126
1.64A18.71
None
None
None
ATO  B2006 (-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.
1X70_A_715A801_1
(DIPEPTIDYL PEPTIDASE
IV)		Sitagliptin5 / 12
ARG B 298
TYR A 118
VAL A 114
TYR A 126
VAL A 125
1.72A16.29
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.
3RAE_F_LFXF101_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B)		Levofloxacin3 / 4
SER G   2
GLY B   2
GLU A 290
0.96A0.95
2.87
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.
3LSF_B_PZIB800_0
(GLUTAMATE RECEPTOR 2)		Piracetam5 / 10
TYR B 118
LEU B 141
PRO B 168
SER B 139
GLY B 170
1.60A20.38
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.
5I3C_B_AC2B301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		Aciclovir5 / 10
GLY B 170
ALA B 173
VAL B 171
GLU B 166
MET B 165
1.35A23.28
None
None
None
ATO  B2006 (-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.
4JUO_F_LFXF101_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B
E-SITE DNA)		Levofloxacin3 / 4
SER G   2
GLY B   2
GLU A 290
0.98A0.95
1.95
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.
5KU6_A_MZMA301_1
(CARBONIC ANHYDRASE 4)		Methazolamide5 / 10
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.42A19.29
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.
5EEU_M_TRPM101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 9
GLY A 146
HIS A 163
HIS A 164
HIS A 172
SER G   2
1.59A13.71
None
ATO  A1006 (-4.2A)
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.
3QOW_A_SAMA417_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine3 / 3
THR A 135
ASP A 197
GLU A 240
1.01A20.05
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.
5B1A_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
ILE A 106
PHE A 112
ARG A 131
THR A 135
1.47A20.23
11.44
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V8B_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
HIS B  41
THR H   3
GLY B 146
HIS B 163
PHE B 181
1.19A21.70
None
None
None
ATO  B2006 ( 4.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BJM_A_BJMA1_1
(DIPEPTIDYL PEPTIDASE
4)		Saxagliptin5 / 12
ARG B 298
TYR A 118
VAL A 114
TYR A 126
VAL A 125
1.78A16.43
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.
1XMU_B_ROFB102_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		Roflumilast4 / 5
ASN H   1
THR H   3
MET B 165
GLN B 189
1.62A3.16
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.
3KO0_E_TFPE201_1
(PROTEIN S100-A4)		Trifluoperazine4 / 7
GLY A 179
CYH A 160
PHE A 159
PHE A 103
1.45A16.27
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.
5E4D_B_BEZB202_0
(HYDROXYNITRILE LYASE)		Benzoic Acid4 / 7
VAL B 212
THR B 257
LEU B 282
VAL B 296
1.41A20.85
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.
2YOE_C_FL7C1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		Flurazepam4 / 8
GLY B  79
ASN B  63
ILE B  59
SER B  81
1.27A20.00
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.
1IBG_H_OBNH1_2
(IGG2B-KAPPA 40-50
FAB (HEAVY CHAIN)
IGG2B-KAPPA 40-50
FAB (LIGHT CHAIN))		Ouabain4 / 7
THR G   3
SER G   2
HIS A  41
LEU A  86
1.54A3.74
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.
3V2J_A_AZMA302_1
(CARBONIC ANHYDRASE 2)		Acetazolamide5 / 11
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.41A23.24
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NJT_B_017B101_2
(PROTEASE)		Darunavir5 / 10
LEU H   4
GLY B 174
ALA B 173
GLY B 138
THR H   3
1.43A42.86
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.
5L8O_B_CHDB1001_0
(GASTROTROPIN)		Cholic Acid5 / 12
THR B 224
LEU B 272
VAL B 233
GLN B 273
GLU B 270
1.61A18.67
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.
6GNF_C_QPSC602_2
(-)		Acarbose5 / 12
HIS B 163
ASN B 133
GLN B 192
PRO B 184
GLY B 195
1.75A21.21
ATO  B2006 ( 4.6A)
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.
2ZIA_A_CL9A401_1
(DEOXYCYTIDINE KINASE)		Cladribine5 / 12
ILE A 136
LEU A 167
GLN G   5
PHE A 140
TYR A 161
1.78A19.76
None
None
ATO  A1006 (-4.6A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HD6_B_STIB601_0
(TYROSINE-PROTEIN
KINASE ABL1)		Imatinib5 / 12
LEU B 253
VAL B 296
ALA B 210
ILE B 286
ASP B 289
1.27A21.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APX_A_Z80A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		Chlorpromazine5 / 12
VAL A 125
PHE A 291
PHE A   3
ARG A 298
PHE B 140
1.55A20.72
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.
4UCI_A_SAMA2409_0
(RNA-DIRECTED RNA
POLYMERASE L)		S-Adenosylmethionine5 / 12
GLU A 166
GLY B   2
GLY A 170
SER A 139
ALA A 116
1.52A20.87
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.
3TAJ_A_NBOA700_1
(LACTOTRANSFERRIN)		Nabumetone4 / 7
THR B  98
GLY B  15
ASN B  95
GLY B  29
1.23A22.01
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.
5N0S_B_SAMB501_1
(PEPTIDE
N-METHYLTRANSFERASE)		S-Adenosylmethionine4 / 4
GLY B 183
ALA B 194
MET B 165
THR B 169
1.75A22.09
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.
3QXV_E_MTXE2000_1
(ANTI-METHOTREXATE
CDR1-4 GRAFT VHH)		Methotrexate5 / 12
ALA A 116
SER A 139
SER B   1
ARG B 298
TYR A 118
1.72A20.14
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.
5M66_C_ADNC502_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
HIS B  41
THR H   3
GLY B 146
HIS B 163
PHE B 181
1.22A19.64
None
None
None
ATO  B2006 ( 4.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF3_M_TRPM101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 9
GLY A 146
HIS A 163
HIS A 164
HIS A 172
SER G   2
1.60A13.71
None
ATO  A1006 (-4.2A)
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.
5M8N_A_MMSA514_1
(5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE)		Mimosine5 / 10
HIS A  41
HIS A 163
LEU A 167
THR G   3
SER G   2
1.75A20.66
None
ATO  A1006 (-4.2A)
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_B_ADNB401_1
(ADENOSINE KINASE)		Adenosine5 / 12
CYH A 128
LEU A 115
GLY B   2
GLY A 138
ALA A 116
1.36A22.85
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.
5ECO_D_LEUD602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		L-Leucine4 / 7
ALA B 116
VAL B 114
TYR B 161
GLU B 166
1.41A19.17
None
None
None
ATO  B2006 (-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.
3RIA_A_IVMA348_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 12
ILE A 136
GLY A 109
THR A 292
PHE A 294
ILE A 106
1.54A24.32
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.
2QD3_A_CHDA501_0
(FERROCHELATASE)		Cholic Acid5 / 11
LEU A 202
LEU A 205
LEU A 208
ILE A 249
VAL A 296
1.53A20.48
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.
3TEG_A_DAHA416_1
(PHENYLALANYL-TRNA
SYNTHETASE,
MITOCHONDRIAL)		Levodopa5 / 12
SER A 144
GLN G   5
PHE A 140
GLY A 174
GLY A 146
1.41A22.04
ATO  A1006 ( 4.4A)
ATO  A1006 (-4.6A)
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.
2AA6_A_STRA401_1
(MINERALOCORTICOID
RECEPTOR)		Progesterone5 / 12
LEU A 202
ASN A 203
LEU A 205
ALA A 206
THR A 111
1.29A21.43
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.
4QZU_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 2)		Vitamin A5 / 12
PHE B 181
ALA B 173
GLN B 192
THR B 190
LEU H   4
1.25A19.51
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.
4MXX_B_DB8B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		Bosutinib5 / 12
VAL B 125
VAL A  13
GLY A 124
LEU A 115
PHE A   8
1.47A24.33
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.
3DDW_A_CFFA903_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)		Caffeine4 / 6
PHE B 140
ALA B 116
GLY B 124
TYR B 126
1.12A16.39
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.
4J26_A_ESTA600_1
(ESTROGEN RECEPTOR
BETA)		Estradiol5 / 12
LEU B  30
LEU B 177
ILE B 136
GLY B 174
HIS B 163
1.63A20.25
None
None
None
None
ATO  B2006 ( 4.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XMU_B_ROFB102_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		Roflumilast4 / 5
ASN A 151
THR A 111
GLN A 127
PHE A   8
1.63A21.84
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.
4XIW_C_AZMC402_1
(CARBONIC ANHYDRASE,
ALPHA TYPE)		Acetazolamide5 / 11
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.40A19.60
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.
6G9B_A_IXXA609_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN
ENVELOPE
GLYCOPROTEIN)		Imipramine5 / 7
ILE B 259
VAL B 296
LEU B 253
LEU B 250
LEU B 282
1.36A20.63
19.54
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.
3SUE_D_SUED1201_2
(NS3 PROTEASE, NS4A
PROTEIN)		Grazoprevir3 / 3
TYR A 182
LEU G   4
LYS G   1
1.41A23.47
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.
4PGF_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
HIS A  41
LEU G   4
GLY A 146
HIS A 163
PHE A 181
1.48A20.09
None
None
None
ATO  A1006 (-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.
1MXF_A_MTXA1278_1
(PTERIDINE REDUCTASE
2)		Methotrexate5 / 10
LEU B 141
TYR B 118
LEU H   4
PRO B  39
THR B 175
1.78A19.38
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.
3G0B_A_T22A800_1
(DIPEPTIDYL PEPTIDASE
4)		Alogliptin5 / 12
ARG B 298
TYR A 118
VAL A 114
TYR A 126
VAL A 125
1.74A16.76
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GWZ_D_010D6_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
PEDV MAIN PROTEASE)		Benzyl alcohol3 / 3
MET B 130
HIS B 134
GLY B 174
1.36A45.28
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.
1MJQ_C_SAMC199_0
(METHIONINE REPRESSOR)		S-Adenosylmethionine6 / 10
LEU H   4
GLU B 166
LEU B 167
PRO B 168
ALA B 173
GLY B 183
1.71A25.00
None
ATO  B2006 (-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.
1YDA_A_AZMA264_1
(CARBONIC ANHYDRASE
II)		Acetazolamide5 / 10
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.38A22.78
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.
5EF0_M_TRPM101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 9
GLY A 146
HIS A 163
HIS A 164
HIS A 172
SER G   2
1.60A13.71
None
ATO  A1006 (-4.2A)
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.
5EEX_M_TRPM101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 9
GLY A 146
HIS A 163
HIS A 164
HIS A 172
SER G   2
1.60A13.71
None
ATO  A1006 (-4.2A)
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.
6ECE_C_DVAC3010_0
(VLM2
DODECADEPSIPEPTIDE)		L-Valine3 / 3
ALA A 210
PHE A 291
GLN A 299
1.32A21.55
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.
5EEY_M_TRPM101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 9
GLY A 146
HIS A 163
HIS A 164
HIS A 172
SER G   2
1.60A13.71
None
ATO  A1006 (-4.2A)
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.
3RD0_A_EDPA175_1
(FERRITIN LIGHT CHAIN)		Thiopental4 / 6
LEU H   4
SER H   2
ALA B 191
ARG B 188
1.31A6.58
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.
1CIL_A_ETSA263_1
(CARBONIC ANHYDRASE
II)		Dorzolamide5 / 12
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.39A23.08
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.
2POU_A_I7AA1000_1
(CARBONIC ANHYDRASE 2)		Diclofenamide5 / 12
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.45A23.24
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.
3G1U_D_ADND438_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
HIS B  41
THR H   3
GLY B 146
HIS B 163
PHE B 181
1.20A20.19
None
None
None
ATO  B2006 ( 4.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N1T_W_CUW201_0
(COPC)		Copper3 / 3
HIS B  41
ASP B 187
HIS B 164
1.42A19.35
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.
3KEE_B_30BB500_1
(GENOME POLYPROTEIN)		Simeprevir5 / 12
GLN B 189
VAL B 171
PHE B 185
ALA B 193
ALA B 194
1.20A22.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FIA_A_198A602_1
(CHOLESTEROL
24-HYDROXYLASE)		Bicalutamide5 / 12
TYR A  54
LEU A  57
THR A  25
GLU A  47
THR A  45
1.42A21.46
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.
1X1A_A_SAMA4264_0
(CRTF-RELATED PROTEIN)		S-Adenosylmethionine5 / 12
GLU B 166
HIS B 163
ALA B 116
GLY B 143
LEU H   4
1.46A21.56
ATO  B2006 (-3.7A)
ATO  B2006 ( 4.6A)
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.
2QEO_A_LNRA200_1
(D7R4 PROTEIN)		Norepinephrine5 / 12
GLU B 166
HIS B 172
ILE B 136
TYR B 161
ASP B 187
1.59A17.04
ATO  B2006 (-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.
5EF1_M_TRPM101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 9
GLY A 146
HIS A 163
HIS A 164
HIS A 172
SER G   2
1.60A13.71
None
ATO  A1006 (-4.2A)
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.
2XRH_A_NIOA200_1
(PROTEIN HP0721)		Niacin4 / 7
GLY A 170
ILE A 136
GLN G   5
LEU A 167
1.08A15.11
None
None
ATO  A1006 (-4.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTI_B_CCSB47_0
(GLUTATHIONE
S-TRANSFERASE)		Carbocisteine4 / 7
LEU H   4
LEU B 141
GLY B 143
LEU B  27
0.96A3.47
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.
3RAV_A_RAVA183_1
(FERRITIN LIGHT CHAIN)		Pentobarbital4 / 6
LEU H   4
SER H   2
ALA B 191
ARG B 188
1.28A6.58
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.
1DMA_A_NCAA700_0
(EXOTOXIN A)		Nicotinamide4 / 7
GLY B 124
LEU B 141
ALA B 116
TYR B 126
1.23A20.33
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.
3OND_A_ADNA506_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
HIS B  41
THR H   3
GLY B 146
HIS B 163
PHE B 181
1.22A22.36
None
None
None
ATO  B2006 ( 4.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QEU_A_ACTA142_0
(PUTATIVE
CARBOXYMUCONOLACTONE
DECARBOXYLASE)		Acetic acid4 / 5
GLU A 166
PRO A 168
GLY A 170
LYS G   1
1.63A17.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N0T_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		S-Adenosylmethionine4 / 5
TYR A 126
SER A 123
ALA A 116
GLN G   5
1.67A21.85
None
None
None
ATO  A1006 (-4.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		Dolutegravir4 / 8
ASP B 187
GLY B 179
TYR B 182
ARG B 105
1.46A21.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M24_A_9CRA501_1
(RETINOIC ACID
RECEPTOR GAMMA)		Alitretinoin5 / 12
PHE A   3
ALA A 210
PHE B 140
GLY A 302
ILE A 213
1.35A20.06
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.
1IBG_H_OBNH1_2
(IGG2B-KAPPA 40-50
FAB (HEAVY CHAIN)
IGG2B-KAPPA 40-50
FAB (LIGHT CHAIN))		Ouabain4 / 7
THR B 257
SER B 254
SER B 301
LEU A 141
1.52A20.77
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.
4FN9_A_STRA301_1
(STEROID RECEPTOR 2)		Progesterone5 / 12
LEU A 202
ASN A 203
LEU A 205
ALA A 206
THR A 111
1.21A20.68
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.
4XMF_A_HSMA202_1
(NITROPHORIN-7)		Histamine3 / 3
ASP B 187
LEU B  86
GLY B 179
1.29A19.68
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.
3MSS_B_STIB1_1
(TYROSINE-PROTEIN
KINASE ABL1)		Imatinib5 / 12
LEU A 253
VAL A 296
ALA A 210
ILE A 286
ASP A 289
1.37A21.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JNC_B_6LHB302_0
(CARBONIC ANHYDRASE 4)		Mafenide5 / 10
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.44A19.29
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GGU_B_017B201_2
(PROTEASE)		Darunavir5 / 9
LEU H   4
GLY B 174
ALA B 173
GLY B 138
THR H   3
1.44A42.86
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.
5TUD_D_ERMD1201_2
(5-HYDROXYTRYPTAMINE
RECEPTOR 2B,SOLUBLE
CYTOCHROME B562
CHIMERA)		Ergotamine5 / 6
LEU B  87
VAL B  42
THR B  25
LEU B  89
LEU B  75
1.60A21.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ECM_D_LEUD602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		L-Leucine4 / 7
ALA B 116
VAL B 114
TYR B 161
GLU B 166
1.24A19.17
None
None
None
ATO  B2006 (-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.
4B53_B_ACTB1445_0
(IG GAMMA-4 CHAIN C
REGION)		Acetic acid3 / 3
GLU A 166
GLY A 170
SER G   2
1.20A14.24
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.
1ERR_B_RALB600_1
(ESTROGEN RECEPTOR)		Raloxifene6 / 12
GLU B 290
TRP B 207
ARG A   4
ILE A 286
LEU B 208
LEU B 205
1.48A21.82
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.
1OPJ_A_STIA3_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		Imatinib5 / 12
LEU B 253
VAL B 296
ALA B 210
ILE B 286
ASP B 289
1.39A21.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X1F_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
LEU A 141
TYR A 126
ARG B   4
MET B   6
1.52A20.23
11.44
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1N13_L_AG2L7014_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		Agmatine4 / 7
LEU H   4
LEU B  27
ILE B  43
MET B  49
1.44A40.00
5.77
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.
4FN9_B_STRB301_1
(STEROID RECEPTOR 2)		Progesterone5 / 12
LEU A 202
ASN A 203
LEU A 205
ALA A 206
THR A 111
1.21A20.68
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.
2NO6_A_ETVA302_1
(DEOXYCYTIDINE KINASE)		Emtricitabine5 / 12
ILE A 136
LEU A 167
GLN G   5
PHE A 140
TYR A 161
1.57A19.71
None
None
ATO  A1006 (-4.6A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOR_A_FLPA711_1
(LACTOTRANSFERRIN)		Flurbiprofen4 / 7
THR B  98
GLY B  15
ASN B  95
GLY B  29
1.19A21.70
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.
5N4I_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		S-Adenosylmethionine4 / 5
TYR A 126
SER A 123
ALA A 116
GLN G   5
1.63A21.85
None
None
None
ATO  A1006 (-4.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4F4D_A_CHDA504_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid5 / 12
LEU B 250
LEU B 205
LEU B 268
ILE B 249
ARG B 131
1.54A20.48
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.
4APJ_A_ACTA1635_0
(ANGIOTENSIN-CONVERTI
NG ENZYME
BRADYKININ-POTENTIAT
ING PEPTIDE B)		Acetic acid4 / 6
HIS A 172
GLU A 166
SER G   2
PRO A 168
1.59A18.01
5.42
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.
1KT3_A_RTLA184_0
(PLASMA
RETINOL-BINDING
PROTEIN)		Vitamin A4 / 7
LEU B  27
MET B  49
LEU H   4
GLN H   5
1.43A20.33
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.
5IEP_A_VDYA201_2
(CDL2.3B)		Calcidiol5 / 9
PRO A   9
VAL B 157
ILE B 152
TYR B 126
LEU B 141
1.65A16.99
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.
2QMQ_A_BEZA3_0
(PROTEIN NDRG2)		Benzoic Acid4 / 7
TYR B 182
GLN B 107
ARG B 105
HIS B 134
1.78A23.65
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W2T_A_LF7A801_1
(DIPEPTIDYL PEPTIDASE
4)		Vildagliptin5 / 12
ARG B 298
TYR A 118
VAL A 114
TYR A 126
VAL A 125
1.75A16.19
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.
2ZW9_B_SAMB801_0
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		S-Adenosylmethionine5 / 12
GLN H   5
THR B  26
GLY B 146
LEU B 141
ASN B 142
1.37A2.39
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.
1C8L_A_CFFA940_1
(PROTEIN (GLYCOGEN
PHOSPHORYLASE))		Caffeine4 / 6
PHE B 140
ALA B 116
GLY B 124
TYR B 126
1.17A16.47
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_F_ADNF503_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
HIS B  41
THR H   3
GLY B 146
HIS B 163
PHE B 181
1.20A20.16
None
None
None
ATO  B2006 ( 4.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BF6_H_SVRH301_1
(THROMBIN, HEAVY
CHAIN)		Suramin5 / 11
HIS B 172
VAL B 114
GLN B 127
GLY A 124
GLU A  14
1.67A21.69
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.
4MWZ_B_CQAB303_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		Amodiaquine4 / 8
GLY A 143
GLY A 120
GLU A  14
LEU A 115
1.00A18.86
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.
5BTA_H_MFXH101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		Moxifloxacin4 / 6
SER A 113
ARG A 131
GLY A 109
THR A 199
1.41A21.27
21.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SI7_A_ACTA5_0
(CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR)		Acetic acid3 / 3
LYS B   1
SER G   2
GLN G   5
1.35A21.28
None
None
ATO  A1006 (-4.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EUQ_A_DXCA502_0
(MULTIDRUG
TRANSPORTER MDFA)		Deoxycholic Acid5 / 11
ASN A 133
GLY A 149
PRO A 184
LEU A 167
GLN G   5
1.60A24.29
None
None
None
None
ATO  A1006 (-4.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X91_A_LPRA1615_2
(ANGIOTENSIN
CONVERTING ENZYME)		Lisinopril3 / 3
SER B  94
THR B  35
PHE B 159
0.83A19.34
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.
2NYR_B_SVRB401_1
(NAD-DEPENDENT
DEACETYLASE
SIRTUIN-5)		Suramin5 / 12
ALA B 129
ALA B 194
PHE B 185
LEU B 141
TYR B 161
1.45A21.81
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.
1DMY_B_AZMB900_1
(MURINE CARBONIC
ANHYDRASE V)		Acetazolamide5 / 12
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.38A21.80
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.
6FEK_A_ADNA1104_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET)		Adenosine5 / 11
GLY B  11
VAL B  13
VAL B 148
ALA B 116
GLY B 124
1.17A21.90
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.
2M9P_B_BEZB251_0
(SERINE PROTEASE
INHIBITOR
SERINE PROTEASE
SUBUNIT NS2B, SERINE
PROTEASE NS3)		Benzoic Acid3 / 3
VAL A 303
SER A 301
GLY A 302
1.05A19.09
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.
3ML5_A_AZMA264_1
(CARBONIC ANHYDRASE 7)		Acetazolamide5 / 11
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.43A20.92
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.
5VKQ_B_PCFB1804_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		Colfosceril palmitate5 / 8
GLY A 146
LEU A  27
LEU A  75
VAL A  20
LEU A  86
1.29A10.94
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.
6GNF_A_QPSA602_1
(-)		Acarbose5 / 12
HIS B 163
ASN B 133
GLN B 192
PRO B 184
GLY B 195
1.74A21.21
ATO  B2006 ( 4.6A)
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.
3UAY_A_ADNA236_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		Adenosine5 / 10
GLY B  15
VAL B  13
GLU B  14
GLU A  14
ASN B  95
1.71A23.42
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.
4COQ_A_SANA300_1
(CARBONATE
DEHYDRATASE)		Sulfanilamide5 / 10
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.45A21.45
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.
3QXV_D_MTXD2000_2
(ANTI-METHOTREXATE
CDR1-4 GRAFT VHH)		Methotrexate3 / 3
LEU A 282
ARG A 298
ASN B 142
1.38A20.14
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.
4FOG_C_C2FC302_0
(THYMIDYLATE SYNTHASE)		Levomefolic acid5 / 11
HIS A  80
ILE A  43
LEU G   4
GLY A  23
VAL A  20
1.76A20.96
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.
5I3C_C_AC2C301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		Aciclovir5 / 11
GLY B 170
ALA B 173
VAL B 171
GLU B 166
MET B 165
1.31A23.28
None
None
None
ATO  B2006 (-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.
5JN9_A_EZLA302_1
(CARBONIC ANHYDRASE 4)		Ethoxzolamide5 / 10
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.43A19.29
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.
5VC0_A_RITA602_1
(CYTOCHROME P450 3A4)		Ritonavir5 / 12
PHE A   3
ARG A 298
PHE B 140
ALA A 255
ALA A 206
1.44A22.11
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.
5JN8_A_AZMA701_1
(CARBONIC ANHYDRASE 4)		Acetazolamide5 / 10
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.43A19.29
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.
4P65_C_IPHC101_0
(INSULIN)		Phenol5 / 11
LEU B  58
CYH B  38
LEU B  87
VAL B  20
LEU B  27
1.34A6.82
10.82
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.
3FXR_A_ASCA3001_0
(LYSR TYPE REGULATOR
OF TSAMBCD)		Vitamin C4 / 8
ARG A 298
ILE A 152
ASN A 151
PRO A   9
1.41A22.83
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.
4IV0_B_SAMB302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		S-Adenosylmethionine5 / 12
ILE A 286
GLY B 283
ILE B 281
ASP B 216
ARG A 131
1.63A19.30
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.
1MJQ_A_SAMA200_0
(METHIONINE REPRESSOR)		S-Adenosylmethionine6 / 11
LEU H   4
GLU B 166
LEU B 167
PRO B 168
ALA B 173
GLY B 183
1.72A25.00
None
ATO  B2006 (-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.
3G4L_C_ROFC903_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		Roflumilast3 / 3
SER B   1
GLN G   5
PHE A 140
1.08A21.23
None
ATO  A1006 (-4.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZB8_A_IMNA800_1
(PROSTAGLANDIN
REDUCTASE 2)		Indomethacin5 / 9
THR B 225
PHE B 219
LEU B 205
VAL B 204
LEU B 208
1.75A24.20
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.
3A6J_B_CRNB304_1
(CREATININE
AMIDOHYDROLASE)		Creatine4 / 7
GLU B 166
HIS B 172
TYR B 118
HIS B 163
1.63A22.61
ATO  B2006 (-3.7A)
None
None
ATO  B2006 ( 4.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1G60_A_SAMA500_0
(ADENINE-SPECIFIC
METHYLTRANSFERASE
MBOIIA)		S-Adenosylmethionine5 / 12
ASN A  28
CYH A 117
GLY B 302
SER B 301
ASN A 142
1.54A20.75
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.
1YA3_C_STRC3001_1
(MINERALOCORTICOID
RECEPTOR)		Progesterone5 / 12
LEU A 202
ASN A 203
LEU A 205
ALA A 206
THR A 111
1.29A22.60
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.
1XMU_A_ROFA101_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		Roflumilast4 / 5
ASN H   1
THR H   3
MET B 165
GLN B 189
1.61A3.16
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.
5TE8_B_08JB602_1
(CYTOCHROME P450 3A4)		Midazolam5 / 8
LEU B 205
THR B 257
ILE B 213
ALA B 210
LEU B 253
1.30A22.11
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.
1HWI_A_115A2_2
(HMG-COA REDUCTASE)		Fluvastatin4 / 8
CYH B 128
HIS B 172
LEU B 141
ALA B 116
1.34A19.87
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.
3KO0_D_TFPD201_1
(PROTEIN S100-A4)		Trifluoperazine4 / 8
GLY B  71
CYH B  38
PHE B 150
PHE B 159
1.38A16.27
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.
5JN8_B_AZMB701_1
(CARBONIC ANHYDRASE 4)		Acetazolamide5 / 11
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.40A19.29
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.
3M7R_A_VDXA425_1
(VITAMIN D3 RECEPTOR)		Calcitriol5 / 12
LEU A 141
SER A 139
SER A 123
GLN B 256
LEU B 253
1.43A21.82
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.
4FIA_A_0U9A601_1
(CHOLESTEROL
24-HYDROXYLASE)		Bicalutamide5 / 12
TYR A  54
LEU A  57
THR A  25
GLU A  47
THR A  45
1.42A21.46
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.
4O1Z_A_MXMA807_2
(PROSTAGLANDIN G/H
SYNTHASE 1)		Meloxicam4 / 6
VAL B 114
LEU B 115
LEU B 141
PHE B 181
1.37A18.50
None