PDB ID: 6lu7


Macromolecule:
MAIN PROTEASE

Source Organism:
SARS-CoV-2

Gene names:
1a-1b
rep

UniProt ID:
P0DTD1

SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '6lu7'

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.
1FO4_B_SALB4005_1
(XANTHINE
DEHYDROGENASE)		Salicylic acid4 / 7
GLU A 290
THR A 135
VAL A 171
ALA A 129
1.43A14.04
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.
1MZ9_A_VDYA1002_4
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		Calcidiol4 / 5
LEU A 177
VAL A 148
ALA A 116
CYH A 117
1.66A10.77
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.
4G19_A_ACTA304_0
(GLUTATHIONE
TRANSFERASE GTE1)		Acetic acid4 / 5
ALA A 266
LEU A 271
LYS A 269
ASN A 221
1.26A22.46
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.
4A81_A_DXCA1161_0
(MAJOR POLLEN
ALLERGEN BET V 1-A)		Deoxycholic Acid5 / 12
ILE A 136
ASP A 197
ILE A 200
VAL A 202
ASP A 289
1.65A19.16
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.
4MJ8_C_SPMC201_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		Spermine4 / 7
ASN A 203
GLU A 290
TYR A 239
GLU A 240
1.78A18.69
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.
2IEN_B_017B402_1
(PROTEASE)		Darunavir5 / 12
ARG A 279
ASP A 216
GLY A 215
ALA A 211
ILE A 281
1.29A15.62
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF3_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 10
GLY A 195
THR A 135
GLY A 170
ALA C   2
THR A 169
1.49A13.04
None
None
None
02J  C   1 ( 3.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FM6_X_BRLX504_1
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		Rosiglitazone5 / 12
GLY A 179
CYH A  85
HIS A  41
LEU A  27
LEU A  87
1.38A22.74
None
None
PJE  C   5 ( 4.9A)
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.
3OXX_A_DR7A100_1
(HIV-1 PROTEASE)		Atazanavir5 / 12
GLY A 174
ILE A 106
GLY A 149
VAL A 148
ILE A 136
1.37A17.83
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.
2HNY_A_NVPA999_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		Nevirapine5 / 10
LEU A 177
VAL A  86
TYR A 161
GLY A 179
LEU A  30
1.72A18.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEV_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		Kanamycin4 / 7
ASP A 197
ASN A 203
GLU A 290
GLU A 240
1.50A22.67
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.
5EEV_L_TRPL101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan4 / 8
SER A 144
GLY A 138
HIS A 172
ALA A 116
1.01A13.04
PJE  C   5 ( 3.9A)
None
PJE  C   5 ( 4.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ZNC_A_BZ1A500_1
(CARBONIC ANHYDRASE
IV)		Brinzolamide5 / 10
HIS A  41
HIS A 164
VAL A  42
PHE A  66
LEU A  87
1.56A19.09
PJE  C   5 ( 4.9A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTF_N_TRPN81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))		L-Tryptophan4 / 8
GLY A 138
HIS A 172
ALA A 116
SER A 144
1.02A13.04
None
PJE  C   5 ( 4.7A)
None
PJE  C   5 ( 3.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KPC_A_SAMA401_1
(PAVINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine4 / 5
PHE A 112
SER A 113
ASN A 203
GLN A 110
1.33A22.36
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.
3DCJ_A_THHA401_0
(PROBABLE
5'-PHOSPHORIBOSYLGLY
CINAMIDE
FORMYLTRANSFERASE
PURN)		Levomefolic acid5 / 12
LEU A 250
ASN A 203
THR A 198
THR A 201
PRO A 241
1.43A21.73
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.
1GTN_T_TRPT81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		L-Tryptophan5 / 11
GLY A 170
ALA C   2
THR A 169
GLY A 195
THR A 135
1.54A13.04
None
02J  C   1 ( 3.8A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G1Q_A_T27A601_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		Rilpivirine5 / 12
PRO A  99
LEU A  32
VAL A  91
VAL A  18
TYR A  37
1.76A18.02
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DH0_A_017A101_0
(PROTEASE)		Darunavir6 / 12
LEU A  67
GLY A  71
ALA A  70
VAL A  36
GLY A 120
VAL A  68
1.72A14.29
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.
4O5F_A_PAUA301_0
(TYPE III
PANTOTHENATE KINASE)		Pantothenic acid5 / 12
ASN A 277
LEU A 286
THR A 280
ILE A 281
LEU A 271
1.51A20.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HIE_A_P06A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		Dabrafenib5 / 12
GLY A 179
PHE A 181
LEU C   4
LEU A  27
GLY A 146
1.33A20.74
None
None
PJE  C   5 ( 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.
5FUK_A_SNPA1236_1
(MROUPO)		Propranolol4 / 7
ILE A 200
ILE A 106
THR A 135
ILE A 136
1.05A19.55
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.
5VLM_D_CVID301_1
(REGULATORY PROTEIN
TETR)		Gentian Violet4 / 8
GLN A 299
GLY A   2
ILE A 213
GLN A 306
1.26A19.05
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		Cyproheptadine4 / 5
TYR A 182
GLY A 179
TYR A 161
GLY A 146
1.35A20.42
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.
1XP0_A_VDNA201_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		Vardenafil5 / 10
VAL A 202
ALA A 206
LEU A 208
MET A 264
PHE A 230
1.62A23.22
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.
2YQZ_A_SAMA301_0
(HYPOTHETICAL PROTEIN
TTHA0223)		S-Adenosylmethionine5 / 12
GLY A 174
ILE A 136
ASP A 187
HIS A 172
LEU A 167
1.28A19.18
None
None
None
PJE  C   5 ( 4.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF3_L_TRPL101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan4 / 8
SER A 144
GLY A 138
HIS A 172
ALA A 116
1.02A13.04
PJE  C   5 ( 3.9A)
None
PJE  C   5 ( 4.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CP4_A_CAMA416_0
(CYTOCHROME P450-CAM)		Camphor5 / 10
VAL A  18
GLY A  29
VAL A  35
ASP A  33
VAL A  91
1.59A19.95
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.
1HSH_C_MK1C402_1
(HIV-II PROTEASE)		Indinavir5 / 12
ARG A 279
ASP A 216
GLY A 215
ALA A 211
ILE A 281
1.31A12.94
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.
3BJ8_C_SPMC500_1
(DIAMINE
ACETYLTRANSFERASE 1)		Spermine4 / 6
LEU A  57
ASP A 187
LEU C   4
HIS A  41
1.53A18.90
None
None
PJE  C   5 ( 4.4A)
PJE  C   5 ( 4.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QXV_D_MTXD2000_2
(ANTI-METHOTREXATE
CDR1-4 GRAFT VHH)		Methotrexate3 / 3
LEU A  87
ARG A 188
ASN A 180
1.47A19.45
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.
1OS6_A_DXCA75_0
(PPCA)		Deoxycholic Acid4 / 8
ILE A  59
LEU A  58
LYS A  90
GLY A  79
1.15A11.11
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.
2AVV_E_MK1E902_1
(POL POLYPROTEIN)		Indinavir5 / 12
ARG A 279
ASP A 216
GLY A 215
ALA A 211
ILE A 281
1.27A15.62
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2TSR_B_D16B409_1
(THYMIDYLATE SYNTHASE)		Raltitrexed4 / 8
ILE A 281
LEU A 268
PHE A 219
TYR A 237
1.23A23.70
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.
3EBZ_B_017B201_2
(PROTEASE)		Darunavir5 / 11
LEU A 220
GLY A 215
ALA A 211
VAL A 296
ILE A 259
1.21A12.94
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.
4ID5_A_T27A601_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		Rilpivirine5 / 12
PRO A  99
LEU A  32
VAL A  91
VAL A  18
TYR A  37
1.75A18.02
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RP8_A_ASCA501_0
(ASCORBATE-SPECIFIC
PERMEASE IIC
COMPONENT ULAA)		Vitamin C5 / 11
THR A 175
TYR A 161
HIS A 163
ALA C   2
PHE A 185
1.59A19.53
None
None
PJE  C   5 ( 3.6A)
02J  C   1 ( 3.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDT_D_ROCD100_1
(PROTEASE)		Saquinavir5 / 12
ARG A 279
ASP A 216
GLY A 215
ALA A 211
ILE A 281
1.31A15.20
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.
3NU5_B_478B401_2
(PROTEASE)		Amprenavir5 / 12
ARG A 279
ASP A 216
GLY A 215
ALA A 211
ILE A 281
1.36A17.67
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.
5XU8_A_DX4A701_0
(UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 2)		Tioguanine4 / 8
GLY A 124
LEU A 115
SER A 113
ALA A   7
1.22A21.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TNE_B_RITB401_1
(SECRETED ASPARTIC
PROTEASE)		Ritonavir5 / 12
ILE A 281
ASP A 216
GLY A 215
GLY A   2
ILE A 213
1.41A23.20
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.
5IEO_A_VDYA206_1
(CDL2.3A)		Calcidiol5 / 12
LEU A 287
LEU A 208
PHE A 230
GLU A 240
ALA A 234
1.60A16.34
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.
6DH6_A_017A104_1
(PROTEASE)		Darunavir5 / 12
ARG A 279
ASP A 216
GLY A 215
ALA A 211
ILE A 281
1.27A17.83
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.
1GTF_K_TRPK81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))		L-Tryptophan5 / 10
GLY A 195
THR A 135
GLY A 170
ALA C   2
THR A 169
1.50A13.04
None
None
None
02J  C   1 ( 3.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SN0_B_T44B602_1
(TRANSTHYRETIN)		Levothyroxine4 / 7
LEU A 242
GLU A 240
ALA A 234
LEU A 272
1.15A16.77
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.
2QWX_A_ML1A233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		Melatonin4 / 8
ILE A 136
PHE A 140
GLY A 149
ILE A 106
1.05A23.15
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GWY_E_010E6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		Benzyl alcohol4 / 4
THR A  25
LEU A  27
HIS A  41
GLY A 143
0.32A44.30
010  C   6 ( 4.3A)
None
PJE  C   5 ( 4.9A)
010  C   6 ( 3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CS8_A_BRLA503_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Rosiglitazone5 / 12
GLY A 183
HIS A 172
ILE A 136
HIS A 163
LEU A 167
1.57A21.65
None
PJE  C   5 ( 4.7A)
None
PJE  C   5 ( 3.6A)
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.
4CEV_A_GAIA407_0
(PROTEIN (ARGINASE))		Guanidine4 / 6
ARG A 131
GLU A 288
LEU A 286
ASP A 289
1.35A22.36
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.
3SM2_A_478A126_2
(GAG-PRO-POL
POLYPROTEIN)		Amprenavir5 / 11
VAL A  91
VAL A  18
GLY A  29
LEU A  75
LEU A  89
1.49A19.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AQU_B_DR7B300_2
(HIV-1 PROTEASE)		Atazanavir5 / 11
ARG A 279
ASP A 216
GLY A 215
ALA A 211
ILE A 281
1.40A17.83
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.
3AI8_B_HNQB255_1
(CATHEPSIN B)		Nitroxoline4 / 6
GLY A 149
HIS A 163
HIS A 164
CYH A 145
1.62A23.30
None
PJE  C   5 ( 3.6A)
None
PJE  C   5 ( 1.7A)
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.
4QZU_C_RTLC201_0
(RETINOL-BINDING
PROTEIN 2)		Vitamin A5 / 12
PHE A 181
ALA A 173
GLN A 192
THR A 190
LEU C   4
1.31A20.49
None
None
None
None
PJE  C   5 ( 4.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ETB_2_T442129_1
(TRANSTHYRETIN)		Levothyroxine4 / 6
LEU A 205
THR A 224
ALA A 266
LEU A 268
1.39A19.05
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.
2GEH_A_NHYA300_1
(CARBONIC ANHYDRASE 2)		Hydroxyurea4 / 8
HIS A 164
HIS A  41
VAL A  42
LEU A  87
1.41A22.99
None
PJE  C   5 ( 4.9A)
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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		Menadione4 / 6
PHE A 291
PHE A   3
GLY A 283
ASN A 214
1.50A22.78
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.
2O4K_A_DR7A301_2
(PROTEASE)		Atazanavir5 / 12
ARG A 279
ASP A 216
GLY A 215
ALA A 211
ILE A 281
1.38A17.83
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.
3N8X_A_NIMA701_2
(PROSTAGLANDIN G/H
SYNTHASE 1)		Nimesulide3 / 3
VAL A 296
SER A 301
LEU A 253
1.17A18.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF1_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 10
GLY A 195
THR A 135
GLY A 170
ALA C   2
THR A 169
1.49A13.04
None
None
None
02J  C   1 ( 3.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3D1Z_B_017B201_2
(HIV-1 PROTEASE)		Darunavir5 / 12
ARG A 279
ASP A 216
GLY A 215
ALA A 211
ILE A 281
1.33A13.33
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.
2NMY_A_ROCA401_1
(PROTEASE)		Saquinavir5 / 12
ARG A 279
ASP A 216
GLY A 215
ALA A 211
ILE A 281
1.33A15.97
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PWJ_A_30ZA201_1
(TRANSTHYRETIN)		Masoprocol4 / 6
LEU A 205
THR A 224
ALA A 266
LEU A 268
1.38A19.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNE_A_ACRA602_1
(-)		Acarbose5 / 12
GLY A 251
VAL A 261
ASP A 245
VAL A 202
PRO A 293
1.55A19.37
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AZM_A_AZMA262_1
(CARBONIC ANHYDRASE I)		Acetazolamide4 / 8
PHE A 181
HIS A 163
HIS A 172
LEU C   4
1.29A22.22
None
PJE  C   5 ( 3.6A)
PJE  C   5 ( 4.7A)
PJE  C   5 ( 4.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CS9_C_NILC600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		Nilotinib5 / 12
ALA A 129
VAL A 157
ILE A 152
THR A 111
ALA A   7
1.29A22.05
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.
5VCV_A_1N1A404_1
(MEMBRANE-ASSOCIATED
TYROSINE- AND
THREONINE-SPECIFIC
CDC2-INHIBITORY
KINASE)		Dasatinib5 / 12
ALA A   7
LYS A   5
GLU A 290
GLY A 124
GLY A 138
1.12A22.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JGL_B_SAMB301_0
(UBIE/COQ5 FAMILY
METHYLTRANSFERASE,
PUTATIVE)		S-Adenosylmethionine5 / 12
ALA A 260
GLY A 258
LEU A 250
LEU A 242
SER A 267
1.49A22.29
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.
4IQQ_A_D16A402_1
(THYMIDYLATE SYNTHASE)		Raltitrexed4 / 7
ILE A 281
LEU A 268
PHE A 219
TYR A 237
1.35A21.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B82_A_AERA602_1
(CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1)		Abiraterone5 / 11
LEU A 253
ILE A 213
VAL A 212
GLY A 258
SER A 267
1.42A20.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEZ_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 10
GLY A 195
THR A 135
GLY A 170
ALA C   2
THR A 169
1.49A13.04
None
None
None
02J  C   1 ( 3.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B82_B_AERB602_1
(CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1)		Abiraterone5 / 11
LEU A 253
ILE A 213
VAL A 212
GLY A 258
SER A 267
1.40A20.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1C9S_P_TRPP81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		L-Tryptophan5 / 11
GLY A 170
ALA C   2
THR A 169
GLY A 195
THR A 135
1.54A13.04
None
02J  C   1 ( 3.8A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MIY_A_B49A1_1
(TYROSINE-PROTEIN
KINASE ITK/TSK)		Sunitinib5 / 11
ILE A 281
ALA A 210
VAL A 303
GLY A 215
SER A   1
1.56A22.56
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.
1MJQ_B_SAMB200_0
(METHIONINE REPRESSOR)		S-Adenosylmethionine5 / 11
HIS A 164
GLY A 146
GLU A 166
HIS A  41
LEU C   4
1.80A16.55
None
None
PJE  C   5 ( 3.9A)
PJE  C   5 ( 4.9A)
PJE  C   5 ( 4.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MAA_D_DMED999_1
(ACETYLCHOLINESTERASE)		Decamethonium4 / 8
GLY A 138
TYR A 126
GLU A 166
TYR A 118
1.59A19.82
None
None
PJE  C   5 ( 3.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNE_B_ACRB602_1
(-)		Acarbose5 / 12
GLY A 251
VAL A 261
ASP A 245
VAL A 202
PRO A 293
1.56A19.37
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GGU_B_017B201_1
(PROTEASE)		Darunavir6 / 12
LEU A  67
GLY A  71
ALA A  70
GLY A 120
THR A  21
VAL A  68
1.64A15.73
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.
3PWM_B_017B402_1
(PROTEASE)		Darunavir5 / 12
ARG A 279
ASP A 216
GLY A 215
ALA A 211
ILE A 281
1.37A15.62
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEY_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 10
GLY A 195
THR A 135
GLY A 170
ALA C   2
THR A 169
1.49A13.04
None
None
None
02J  C   1 ( 3.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IWU_A_ERYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		Erythromycin4 / 6
GLY A 138
ASP A 295
ILE A 200
ARG A 131
1.56A18.46
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.
5IGY_A_ERYA403_0
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		Erythromycin5 / 12
HIS A  41
ASN A  28
HIS A 163
ALA A 116
PHE A 181
1.59A18.46
PJE  C   5 ( 4.9A)
None
PJE  C   5 ( 3.6A)
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.
3U9F_C_CLMC221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol5 / 11
PHE A 140
CYH A 145
HIS A 163
THR A 135
PHE A 112
1.80A23.48
None
PJE  C   5 ( 1.7A)
PJE  C   5 ( 3.6A)
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.
3JB2_A_SAMA1101_0
(STRUCTURAL PROTEIN
VP3)		S-Adenosylmethionine5 / 12
ASN A 221
SER A 267
MET A 264
ARG A 279
ILE A 281
1.71A14.76
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MO4_A_NILA601_1
(TYROSINE-PROTEIN
KINASE ABL1)		Nilotinib5 / 10
LEU A 167
VAL A 171
GLU A 290
PHE A 185
GLY A 195
1.66A21.98
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.
4F5Z_A_BEZA302_0
(HALOALKANE
DEHALOGENASE)		Benzoic Acid4 / 8
PHE A 181
LEU C   4
HIS A 163
TYR A 161
1.46A22.67
None
PJE  C   5 ( 4.4A)
PJE  C   5 ( 3.6A)
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.
2R5P_B_MK1B902_2
(PROTEASE)		Indinavir5 / 12
ARG A 279
ASP A 216
GLY A 215
ALA A 211
ILE A 281
1.34A16.43
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.
3MG0_H_BO2H1400_1
(PROTEASOME COMPONENT
PUP1
PROTEASOME COMPONENT
PUP3)		Bortezomib5 / 11
THR A 135
ALA A 173
GLY A 174
THR A 175
CYH A 160
1.55A19.62
21.47
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.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)		Nabumetone4 / 7
ALA A 173
GLU A 166
LYS C   2
LEU C   4
1.55A18.27
None
PJE  C   5 ( 3.9A)
02J  C   1 ( 3.0A)
PJE  C   5 ( 4.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QQC_A_AG2A671_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE (EC
4.1.1.19) (PVLARGDC))		Agmatine4 / 7
ILE A  43
MET A  49
LEU C   4
LEU A  27
1.36A17.23
13.52
None
None
PJE  C   5 ( 4.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O0S_A_ADNA500_1
(AURORA KINASE A)		Adenosine5 / 11
LEU A 167
GLY A 170
ALA C   2
LEU C   4
ASN A 142
1.44A21.08
None
None
02J  C   1 ( 3.8A)
PJE  C   5 ( 4.4A)
PJE  C   5 ( 4.2A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1CMA_B_SAMB105_0
(PROTEIN (MET
REPRESSOR))		S-Adenosylmethionine5 / 11
HIS A  41
LEU C   4
HIS A 164
PHE A 185
GLY A 174
1.45A17.25
PJE  C   5 ( 4.9A)
PJE  C   5 ( 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.
1RS7_B_MTLB871_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		Mannitol4 / 8
SER A 113
GLN A 110
PHE A 112
ASP A 295
1.59A22.14
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.
5EF1_L_TRPL101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan4 / 8
SER A 144
GLY A 138
HIS A 172
ALA A 116
1.02A13.04
PJE  C   5 ( 3.9A)
None
PJE  C   5 ( 4.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VLM_E_CVIE301_0
(REGULATORY PROTEIN
TETR)		Gentian Violet5 / 12
MET A 264
GLU A 288
LEU A 208
VAL A 296
PHE A   3
1.66A19.05
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.
5KC4_A_RBFA201_1
(RIBOFLAVIN
TRANSPORTER RIBU)		Riboflavin5 / 12
GLY A 275
ASN A 274
ALA A 266
ASN A 221
PHE A 223
1.65A21.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKH_G_KANG301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		Kanamycin4 / 7
ASP A 197
ASN A 203
GLU A 290
GLU A 240
1.77A22.67
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.
2PYM_A_1UNA1001_2
(PROTEASE RETROPEPSIN)		Nelfinavir5 / 12
ARG A 279
ASP A 216
GLY A 215
ALA A 211
ILE A 281
1.35A21.17
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.
4M11_A_MXMA606_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Meloxicam5 / 12
LEU A 287
LEU A 227
LEU A 205
ALA A 234
LEU A 272
1.31A20.29
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.
5VUN_A_MTLA805_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		Mannitol4 / 8
SER A 113
GLN A 110
PHE A 112
ASP A 295
1.57A22.14
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.
3N2O_C_AG2C1002_1
(BIOSYNTHETIC
ARGININE
DECARBOXYLASE)		Agmatine4 / 8
SER A 284
LEU A 271
TRP A 218
ASP A 216
1.24A18.58
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.
2Z54_A_AB1A200_1
(HIV-1 PROTEASE)		Lopinavir5 / 12
ARG A 279
ASP A 216
GLY A 215
ALA A 211
ILE A 281
1.32A14.05
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.
2G70_A_SAMA2001_0
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLN A 127
VAL A 202
HIS A 246
ALA A 129
PHE A 112
1.64A20.68
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.
2Y7W_B_SALB1300_1
(LYSR-TYPE REGULATORY
PROTEIN)		Salicylic acid5 / 10
THR A  25
PHE A  66
HIS A  41
PRO A  39
ILE A  43
1.53A21.29
010  C   6 ( 4.3A)
None
PJE  C   5 ( 4.9A)
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.
4FEW_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		Kanamycin4 / 7
ASP A 197
ASN A 203
GLU A 290
GLU A 240
1.56A22.67
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.
4XI3_C_29SC601_2
(ESTROGEN RECEPTOR)		Bazedoxifene4 / 6
LEU A 167
ASP A 197
HIS A 163
PRO A 108
1.37A19.68
None
None
PJE  C   5 ( 3.6A)
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.
4QZU_B_RTLB201_0
(RETINOL-BINDING
PROTEIN 2)		Vitamin A5 / 12
PHE A 181
ALA A 173
GLN A 192
THR A 190
LEU C   4
1.22A20.49
None
None
None
None
PJE  C   5 ( 4.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2H42_C_VIAC903_2
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		Sildenafil3 / 3
ASN A 180
ILE A 106
MET A 130
1.63A22.34
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.
3OI8_A_ADNA2_1
(UNCHARACTERIZED
PROTEIN)		Adenosine4 / 6
ILE A 249
ASN A 203
LEU A 250
ASP A 245
1.20A20.13
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.
3GGU_B_017B201_2
(PROTEASE)		Darunavir5 / 9
LEU A  67
GLY A  71
ALA A  70
GLY A 120
THR A  21
1.56A15.73
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.
3TNE_A_RITA401_1
(SECRETED ASPARTIC
PROTEASE)		Ritonavir5 / 12
ILE A 281
ASP A 216
GLY A 215
GLY A   2
ILE A 213
1.36A23.20
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.
6BP4_B_SAMB505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC)		S-Adenosylmethionine5 / 12
GLY A 179
HIS A 163
TYR A 161
CYH A 145
GLY A 149
1.71A23.01
None
PJE  C   5 ( 3.6A)
None
PJE  C   5 ( 1.7A)
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.
4IIL_A_RBFA401_2
(MEMBRANE LIPOPROTEIN
TPN38(B))		Riboflavin4 / 8
VAL A 202
GLN A 110
GLN A 244
ILE A 249
1.40A22.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNF_C_QPSC602_2
(-)		Acarbose5 / 12
VAL A 261
ASP A 197
ASN A 203
GLN A 110
PRO A 293
1.80A21.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2TSR_A_D16A309_1
(THYMIDYLATE SYNTHASE)		Raltitrexed4 / 7
ILE A 281
LEU A 268
PHE A 219
TYR A 237
1.32A23.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VLM_C_CVIC301_1
(REGULATORY PROTEIN
TETR)		Gentian Violet4 / 7
GLN A 299
GLY A   2
ILE A 213
GLN A 306
1.31A19.05
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.
5EEW_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 10
GLY A 195
THR A 135
GLY A 170
ALA C   2
THR A 169
1.49A13.04
None
None
None
02J  C   1 ( 3.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ONI_D_BEZD507_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		Benzoic Acid4 / 7
PHE A 219
ALA A 211
ILE A 259
TYR A 209
1.14A20.28
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.
3DC3_A_AZMA263_1
(CARBONIC ANHYDRASE 2)		Acetazolamide5 / 12
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.60A22.99
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.
1UPF_A_URFA999_1
(URACIL
PHOSPHORIBOSYLTRANSF
ERASE)		Fluorouracil4 / 5
MET A 130
ALA A 129
ILE A 136
ASP A 197
1.54A19.53
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.
1WRQ_A_HISA2001_0
(HUT OPERON POSITIVE
REGULATORY PROTEIN)		L-Histidine4 / 6
ARG A 217
ILE A 259
GLY A 258
ALA A 255
1.31A21.04
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.
5W5V_A_ANWA701_0
(SERINE/THREONINE-PRO
TEIN KINASE TBK1)		Amlexanox5 / 9
VAL A 148
MET A 162
CYH A 117
GLY A 120
MET A  17
1.80A17.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1C9S_N_TRPN81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		L-Tryptophan5 / 10
GLY A 170
ALA C   2
THR A 169
GLY A 195
THR A 135
1.55A13.04
None
02J  C   1 ( 3.8A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HBF_A_DXCA75_0
(PPCA)		Deoxycholic Acid4 / 7
ILE A  59
LEU A  58
LYS A  90
GLY A  79
1.17A11.11
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.
4E1G_B_LNLB701_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		Alpha-Linolenic Acid4 / 7
VAL A  68
VAL A  18
MET A 162
VAL A 148
1.41A19.44
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.
1UTD_E_TRPE81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 10
GLY A 170
ALA C   2
THR A 169
GLY A 195
THR A 135
1.50A13.04
None
02J  C   1 ( 3.8A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KCN_B_MTLB806_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		Mannitol4 / 7
SER A 113
GLN A 110
PHE A 112
ASP A 295
1.56A22.14
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.
3OKX_A_SAMA201_0
(YAEB-LIKE PROTEIN
RPA0152)		S-Adenosylmethionine5 / 12
LEU A  87
CYH A  38
GLY A  23
THR A  24
LEU A  89
1.32A21.05
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BXE_B_1FLB2003_1
(SERUM ALBUMIN)		Diflunisal5 / 10
PHE A 219
LEU A 268
LEU A 287
ILE A 281
ALA A 206
1.59A17.80
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.
2V32_A_BEZA1222_0
(PEROXIREDOXIN 6)		Benzoic Acid4 / 8
PRO A 108
GLU A 290
ALA A 129
PRO A 132
1.53A18.65
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.
4QWP_A_GCSA303_1
(CHITOSANASE)		Glucosamine4 / 6
GLU A  55
TYR A  54
ILE A  43
HIS A  80
1.60A21.70
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.
1AKD_A_CAMA420_0
(CYTOCHROME P450CAM)		Camphor5 / 11
VAL A  18
GLY A  29
VAL A  35
ASP A  33
VAL A  91
1.52A19.95
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.
1BZM_A_MZMA262_1
(CARBONIC ANHYDRASE I)		Methazolamide4 / 8
PHE A 181
HIS A 163
HIS A 172
LEU C   4
1.29A22.22
None
PJE  C   5 ( 3.6A)
PJE  C   5 ( 4.7A)
PJE  C   5 ( 4.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ICL_A_T27A601_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		Rilpivirine5 / 12
PRO A  99
LEU A  32
VAL A  91
VAL A  18
TYR A  37
1.76A18.02
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RP9_A_ASCA501_0
(ASCORBATE-SPECIFIC
PERMEASE IIC
COMPONENT ULAA)		Vitamin C5 / 12
THR A 175
TYR A 161
HIS A 163
ALA C   2
PHE A 185
1.56A19.53
None
None
PJE  C   5 ( 3.6A)
02J  C   1 ( 3.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1CD2_A_FOLA307_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA C   2
LEU A 167
PHE A 181
PHE A 134
THR A 190
1.52A5.17
02J  C   1 ( 3.8A)
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.
3SUE_C_SUEC1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		Grazoprevir5 / 12
VAL A 297
ASP A 295
GLY A 149
SER A 113
ALA A 129
1.40A23.47
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.
1JLF_A_NVPA999_1
(HIV-1 RT A-CHAIN
HIV-1 RT B-CHAIN)		Nevirapine4 / 8
LEU A 177
VAL A  86
TYR A 161
GLY A 179
1.50A19.09
20.54
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.
4QZU_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 2)		Vitamin A5 / 12
PHE A 181
ALA A 173
GLN A 192
THR A 190
LEU C   4
1.30A20.49
None
None
None
None
PJE  C   5 ( 4.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FWD_A_BO2A801_1
(TTC1975 PEPTIDASE)		Bortezomib5 / 9
VAL A 296
VAL A 297
VAL A 212
ILE A 213
GLY A 302
1.69A17.28
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.
1FDU_A_ESTA351_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE)		Estradiol5 / 12
VAL A 148
GLY A 149
GLY A 146
PHE A 140
SER A 123
1.14A19.83
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.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		Fulvestrant5 / 12
TYR A  54
LEU A  87
LEU A  58
LEU C   4
HIS A  41
1.46A19.64
None
None
None
PJE  C   5 ( 4.4A)
PJE  C   5 ( 4.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FDU_D_ESTD352_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE)		Estradiol4 / 6
SER A 147
VAL A 148
GLY A 146
GLU A 178
1.43A19.83
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.
1MJQ_H_SAMH200_0
(METHIONINE REPRESSOR)		S-Adenosylmethionine5 / 10
HIS A 164
GLY A 146
GLU A 166
HIS A  41
LEU C   4
1.79A16.55
None
None
PJE  C   5 ( 3.9A)
PJE  C   5 ( 4.9A)
PJE  C   5 ( 4.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEV_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 10
GLY A 195
THR A 135
GLY A 170
ALA C   2
THR A 169
1.49A13.04
None
None
None
02J  C   1 ( 3.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EMA_A_BRLA601_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Rosiglitazone5 / 12
GLY A 179
CYH A  85
HIS A  41
LEU A  27
LEU A  87
1.29A22.46
None
None
PJE  C   5 ( 4.9A)
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.
1E7C_A_HLTA4008_1
(SERUM ALBUMIN)		Halothane4 / 8
ALA A 173
LEU C   4
LEU A 167
ALA C   2
1.03A17.80
None
PJE  C   5 ( 4.4A)
None
02J  C   1 ( 3.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UTD_S_TRPS81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 11
GLY A 170
ALA C   2
THR A 169
GLY A 195
THR A 135
1.53A13.04
None
02J  C   1 ( 3.8A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BTG_E_LFXE101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		Levofloxacin4 / 6
ALA A   7
ARG A 131
GLY A 109
THR A 199
1.43A21.19
21.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IFY_A_T27A601_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		Rilpivirine5 / 12
PRO A  99
LEU A  32
VAL A  91
VAL A  18
TYR A  37
1.75A18.02
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N62_A_MTLA870_0
(NITRIC OXIDE
SYNTHASE)		Mannitol4 / 8
SER A 113
GLN A 110
PHE A 112
ASP A 295
1.62A22.14
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.
3NU3_B_478B401_1
(PROTEASE)		Amprenavir5 / 12
ARG A 279
ASP A 216
GLY A 215
ALA A 211
ILE A 281
1.28A15.62
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F8L_A_SAMA400_0
(HYPOTHETICAL PROTEIN
LMO1582)		S-Adenosylmethionine5 / 12
ALA A 255
GLY A 258
VAL A 261
ASP A 263
GLY A 251
1.41A19.13
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.
5NOO_A_D16A402_1
(THYMIDYLATE SYNTHASE)		Raltitrexed4 / 7
ILE A 281
LEU A 268
PHE A 219
TYR A 237
1.31A21.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AC0_A_MIYA1204_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS B FROM
TRANSPOSON TN1 0)		Minocycline5 / 12
ASN A 214
PHE A   3
PRO A 293
LEU A 253
LEU A 205
1.74A22.55
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.
3D1Z_B_017B201_1
(HIV-1 PROTEASE)		Darunavir5 / 12
ARG A 279
ASP A 216
GLY A 215
ALA A 211
ILE A 281
1.30A13.33
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.
2Q0I_A_BEZA990_0
(QUINOLONE SIGNAL
RESPONSE PROTEIN)		Benzoic Acid4 / 8
ASP A 187
LEU C   4
HIS A 164
LEU A  27
1.54A21.39
None
PJE  C   5 ( 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.
3P73_A_ACTA275_0
(MHC RFP-Y CLASS I
ALPHA CHAIN)		Acetic acid3 / 3
ILE A 259
VAL A 212
ARG A 217
0.94A19.69
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.
4EJJ_A_NCTA501_1
(CYTOCHROME P450 2A6)		Nicotine4 / 7
PHE A 219
ASN A 214
GLY A 215
ILE A 259
1.22A19.33
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.
4C1F_A_X8ZA300_1
(BETA-LACTAMASE IMP-1)		Captopril5 / 11
HIS A 164
HIS A  41
ASP A 187
CYH A  85
GLU A  55
1.76A21.63
None
PJE  C   5 ( 4.9A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CSW_A_P06A801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		Dabrafenib3 / 3
PHE A 112
ILE A 106
ASP A 153
1.06A20.87
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.
3SEL_X_DXCX75_0
(CYTOCHROME C7)		Deoxycholic Acid4 / 8
ILE A  59
LEU A  58
LYS A  90
GLY A  79
1.15A10.77
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.
1MJQ_A_SAMA200_0
(METHIONINE REPRESSOR)		S-Adenosylmethionine5 / 11
HIS A  41
LEU C   4
HIS A 164
PHE A 185
GLY A 174
1.53A16.55
PJE  C   5 ( 4.9A)
PJE  C   5 ( 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.
3CLB_A_TMQA611_1
(DHFR-TS)		Trimetrexate5 / 11
VAL A 171
ILE A 200
ASP A 197
ILE A 106
ILE A 136
1.57A20.60
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.
5VLM_H_CVIH301_0
(REGULATORY PROTEIN
TETR)		Gentian Violet5 / 12
MET A 264
GLU A 288
LEU A 208
VAL A 296
PHE A   3
1.54A19.05
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.
3UQ6_B_ADNB401_2
(ADENOSINE KINASE,
PUTATIVE)		Adenosine4 / 5
LEU A 141
GLY A 143
PHE A 140
ASN A  28
1.43A19.80
None
010  C   6 ( 3.5A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HGI_A_BEZA284_0
(CATECHOL
1,2-DIOXYGENASE)		Benzoic Acid5 / 12
VAL A 114
ILE A 136
GLY A 138
HIS A 163
HIS A 172
1.67A22.70
None
None
None
PJE  C   5 ( 3.6A)
PJE  C   5 ( 4.7A)
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.
5EF2_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 10
GLY A 195
THR A 135
GLY A 170
ALA C   2
THR A 169
1.49A13.04
None
None
None
02J  C   1 ( 3.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AQ7_A_LEUA902_0
(LEUCINE--TRNA LIGASE)		L-Leucine4 / 7
LEU A 141
SER A 139
HIS A 163
HIS A 172
1.60A14.71
None
None
PJE  C   5 ( 3.6A)
PJE  C   5 ( 4.7A)
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.
2HND_A_NVPA999_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		Nevirapine5 / 10
LEU A 177
VAL A  86
TYR A 161
GLY A 179
LEU A  30
1.70A18.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AF0_A_PAUA314_0
(PANTOTHENATE KINASE)		Pantothenic acid4 / 8
LEU A 177
GLY A 149
HIS A 164
TYR A 182
1.51A23.81
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.
1Z9H_A_IMNA379_1
(MEMBRANE-ASSOCIATED
PROSTAGLANDIN E
SYNTHASE-2)		Indomethacin5 / 12
PRO A  39
PRO A  52
VAL A  20
ILE A  43
LEU A  89
1.62A19.75
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.
6DH3_A_017A101_1
(PROTEASE)		Darunavir5 / 12
ARG A 279
ASP A 216
GLY A 215
ALA A 211
ILE A 281
1.28A14.05
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.
5EF0_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 10
GLY A 195
THR A 135
GLY A 170
ALA C   2
THR A 169
1.49A13.04
None
None
None
02J  C   1 ( 3.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AN2_A_EUIA1382_1
(DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1)		Cobimetinib5 / 12
LEU A 220
ILE A 259
MET A 264
GLY A 215
GLY A 302
1.23A20.56
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.
3QJ7_A_SPMA264_1
(THYMIDYLATE SYNTHASE)		Spermine5 / 8
ARG A 188
ALA C   2
GLN A 192
LEU A 167
ASP A 187
1.78A23.01
None
02J  C   1 ( 3.8A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E7B_B_HLTB4003_1
(SERUM ALBUMIN)		Halothane4 / 6
ASN A 133
GLY A 183
ALA A 173
LEU A 167
1.10A17.80
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.
2QHF_A_ACTA507_0
(CHORISMATE SYNTHASE)		Acetic acid3 / 3
LEU A  57
ASN A  53
ARG A  60
1.57A20.39
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.
1AEG_A_4APA296_1
(CYTOCHROME C
PEROXIDASE)		Dalfampridine4 / 8
GLY A  11
LYS A  12
GLY A  15
LEU A  30
0.99A23.53
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.
2AQU_B_DR7B300_1
(HIV-1 PROTEASE)		Atazanavir5 / 10
ARG A 279
ASP A 216
GLY A 215
ALA A 211
ILE A 281
1.41A17.83
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.
5CPR_B_SAMB402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		S-Adenosylmethionine3 / 3
HIS A  41
SER A  46
ASN A 142
1.15A20.45
PJE  C   5 ( 4.9A)
None
PJE  C   5 ( 4.2A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZBR_A_NPSA603_1
(SERUM ALBUMIN)		Naproxen6 / 10
ALA A 173
ASP A 187
LEU C   4
LEU A 167
ALA C   2
ALA A 193
1.61A17.80
None
None
PJE  C   5 ( 4.4A)
None
02J  C   1 ( 3.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGI_A_ZITA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		Azithromycin5 / 12
TYR A  37
VAL A  36
MET A  17
VAL A  18
GLY A 149
1.47A21.08
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.
2HS2_A_017A201_2
(PROTEASE)		Darunavir5 / 12
ARG A 279
ASP A 216
GLY A 215
ALA A 211
ILE A 281
1.28A15.97
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N66_B_MTLB870_0
(NITRIC OXIDE
SYNTHASE)		Mannitol4 / 8
SER A 113
GLN A 110
PHE A 112
ASP A 295
1.58A22.14
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.
3MG0_V_BO2V1401_1
(PROTEASOME COMPONENT
PUP1
PROTEASOME COMPONENT
PUP3)		Bortezomib5 / 11
THR A 135
ALA A 173
GLY A 174
THR A 175
CYH A 160
1.58A19.62
21.47
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.
2ITZ_A_IREA2021_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Gefitinib5 / 12
LEU A 167
VAL A 171
LYS A 137
GLU A 290
GLY A 195
1.32A19.08
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.
4Z69_A_DIFA1008_1
(SERUM ALBUMIN)		Diclofenac5 / 9
PHE A 150
PHE A 112
SER A  10
LEU A 115
VAL A 125
1.76A17.80
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.
1EPB_A_9CRA165_2
(EPIDIDYMAL RETINOIC
ACID-BINDING PROTEIN)		Alitretinoin4 / 7
LEU A  87
PHE A  66
VAL A  68
VAL A  77
1.26A20.39
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.
2ZD1_A_T27A557_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		Rilpivirine5 / 12
PRO A  99
LEU A  32
VAL A  91
VAL A  18
TYR A  37
1.76A18.02
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MWS_B_017B201_1
(HIV-1 PROTEASE)		Darunavir5 / 12
ARG A 279
ASP A 216
GLY A 215
ALA A 211
ILE A 281
1.30A21.62
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HSG_B_MK1B902_2
(HIV-1 PROTEASE)		Indinavir5 / 12
ARG A 279
ASP A 216
GLY A 215
ALA A 211
ILE A 281
1.32A17.83
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.
5DZK_P_BEZP801_1
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		Benzoic Acid4 / 6
PHE A 140
ALA A 173
HIS A 164
LEU C   4
1.71A23.08
3.45
None
None
None
PJE  C   5 ( 4.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTF_E_TRPE81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))		L-Tryptophan5 / 9
GLY A 195
THR A 135
GLY A 170
ALA C   2
THR A 169
1.51A13.04
None
None
None
02J  C   1 ( 3.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AZS_A_SAMA1475_0
(METHYLTRANSFERASE
WBDD)		S-Adenosylmethionine5 / 12
TYR A  54
ARG A 105
LEU A  87
VAL A  86
HIS A 164
1.66A19.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTF_Q_TRPQ81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))		L-Tryptophan5 / 11
GLY A 170
ALA C   2
THR A 169
GLY A 195
THR A 135
1.54A13.04
None
02J  C   1 ( 3.8A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JAY_A_SAMA1101_0
(STRUCTURAL PROTEIN
VP3)		S-Adenosylmethionine5 / 12
ASN A 221
SER A 267
MET A 264
ARG A 279
ILE A 281
1.75A14.76
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SDU_B_MK1B902_2
(PROTEASE RETROPEPSIN)		Indinavir5 / 12
ARG A 279
ASP A 216
GLY A 215
ALA A 211
ILE A 281
1.30A15.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Y7Z_B_IREB401_0
(CYCLIN-G-ASSOCIATED
KINASE)		Gefitinib5 / 12
GLU A  14
LEU A 115
LEU A 177
LEU A  32
CYH A  16
1.33A20.06
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.
3JB3_A_SAMA1101_0
(STRUCTURAL PROTEIN
VP3)		S-Adenosylmethionine5 / 12
ASN A 221
SER A 267
MET A 264
ARG A 279
ILE A 281
1.77A14.76
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VCY_A_DB8A401_1
(MEMBRANE-ASSOCIATED
TYROSINE- AND
THREONINE-SPECIFIC
CDC2-INHIBITORY
KINASE)		Bosutinib5 / 12
LEU A 167
VAL A 171
GLU A 290
GLY A 183
PRO A 184
1.38A22.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UUN_B_ACTB311_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		Acetic acid4 / 4
PHE A 112
PRO A 108
TYR A 161
TYR A 182
1.78A23.60
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.
1MJO_C_SAMC200_0
(METHIONINE REPRESSOR)		S-Adenosylmethionine5 / 12
HIS A 164
PHE A 185
GLY A 174
HIS A  41
LEU C   4
1.59A16.55
None
None
None
PJE  C   5 ( 4.9A)
PJE  C   5 ( 4.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QOW_A_SAMA417_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY A 149
VAL A 104
ALA A 129
PHE A 294
PHE A   8
1.44A20.55
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.
1RMT_B_ADNB1502_1
(CLASS B ACID
PHOSPHATASE)		Adenosine4 / 7
PHE A 159
GLU A 178
LEU A 177
TYR A 101
1.69A20.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EL1_A_DR7A100_1
(PROTEASE)		Atazanavir5 / 11
ARG A 279
ASP A 216
GLY A 215
ALA A 211
ILE A 281
1.37A18.47
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.
2ZLC_A_VDXA500_1
(VITAMIN D3 RECEPTOR)		Calcitriol5 / 12
LEU A  58
VAL A  42
HIS A  41
HIS A 164
LEU C   4
1.61A20.31
None
None
PJE  C   5 ( 4.9A)
None
PJE  C   5 ( 4.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UTD_U_TRPU81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 10
GLY A 170
ALA C   2
THR A 169
GLY A 195
THR A 135
1.55A13.04
None
02J  C   1 ( 3.8A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GSF_A_EAAA223_1
(GLUTATHIONE
TRANSFERASE A1-1)		Etacrynic acid4 / 8
TYR A 161
GLY A 174
VAL C   3
PHE A 140
1.14A21.20
None
None
02J  C   1 ( 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.
5E5J_A_017A201_3
(PROTEASE)		Darunavir3 / 3
ASP A 245
VAL A 202
LEU A 242
1.06A14.57
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF2_L_TRPL101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan4 / 8
SER A 144
GLY A 138
HIS A 172
ALA A 116
1.02A13.04
PJE  C   5 ( 3.9A)
None
PJE  C   5 ( 4.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DH0_A_017A101_1
(PROTEASE)		Darunavir5 / 12
ASP A  33
VAL A  35
GLY A  29
VAL A  77
VAL A  91
1.39A14.29
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.
1JQD_A_HSMA600_1
(HISTAMINE
N-METHYLTRANSFERASE)		Histamine4 / 7
PHE A 103
GLU A 178
GLN A  83
VAL A  86
1.67A21.19
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.
5JLC_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Itraconazole5 / 12
ALA A   7
PHE A 185
GLY A 195
THR A 111
MET A 130
1.47A19.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1A4L_D_DCFD1853_2
(ADENOSINE DEAMINASE)		Pentostatin4 / 4
HIS A  64
LEU A  58
LEU A  87
LEU A  27
1.67A21.39
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.
2QHC_B_AB1B9001_2
(PROTEASE RETROPEPSIN)		Lopinavir5 / 12
ARG A 279
ASP A 216
GLY A 215
ALA A 211
ILE A 281
1.34A14.05
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.
5EEX_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 10
GLY A 195
THR A 135
GLY A 170
ALA C   2
THR A 169
1.49A13.04
None
None
None
02J  C   1 ( 3.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YQZ_B_SAMB401_0
(HYPOTHETICAL PROTEIN
TTHA0223)		S-Adenosylmethionine5 / 12
GLY A 174
ILE A 136
ASP A 187
HIS A 172
LEU A 167
1.25A19.18
None
None
None
PJE  C   5 ( 4.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ERR_A_CCSA381_0
(ESTROGEN RECEPTOR)		Carbocisteine4 / 5
HIS A 172
GLU A 166
ALA C   2
HIS A  41
1.53A21.94
PJE  C   5 ( 4.7A)
PJE  C   5 ( 3.9A)
02J  C   1 ( 3.8A)
PJE  C   5 ( 4.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5T8H_B_478B401_2
(PROTEASE)		Amprenavir5 / 12
ARG A 279
ASP A 216
GLY A 215
ALA A 211
ILE A 281
1.30A14.57
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EL1_A_DR7A100_2
(PROTEASE)		Atazanavir5 / 12
ARG A 279
ASP A 216
GLY A 215
ALA A 211
ILE A 281
1.32A18.47
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.
1RMT_A_ADNA1501_1
(CLASS B ACID
PHOSPHATASE)		Adenosine5 / 10
ASP A 187
LEU A 167
THR A 175
GLY A 174
THR A 190
1.79A20.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EM4_A_DR7A100_1
(PROTEASE)		Atazanavir5 / 11
ARG A 279
ASP A 216
GLY A 215
ALA A 211
ILE A 281
1.41A13.76
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FM6_D_BRLD503_1
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		Rosiglitazone5 / 12
GLY A 179
CYH A  85
HIS A  41
LEU A  27
LEU A  87
1.32A22.74
None
None
PJE  C   5 ( 4.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JQ7_A_DX2A271_1
(PTERIDINE REDUCTASE
1)		Triamterene5 / 10
PHE A 103
ASP A  33
TYR A 101
VAL A  36
MET A 162
1.67A23.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZAU_A_YY3A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Osimertinib5 / 8
LEU A 177
GLY A 179
LEU A  30
GLY A 146
CYH A 145
1.51A21.74
None
None
None
None
PJE  C   5 ( 1.7A)
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.
3CZH_A_D2VA602_1
(CYTOCHROME P450 2R1)		Ergocalciferol6 / 12
THR A 226
ASN A 228
VAL A 233
ALA A 234
ALA A 266
MET A 235
1.69A20.59
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.
5EEZ_L_TRPL101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan4 / 8
SER A 144
GLY A 138
HIS A 172
ALA A 116
1.02A13.04
PJE  C   5 ( 3.9A)
None
PJE  C   5 ( 4.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKH_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		Kanamycin4 / 8
ASP A 197
ASN A 203
GLU A 290
GLU A 240
1.75A22.67
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.
5CP4_A_CAMA422_0
(CYTOCHROME P450CAM)		Camphor5 / 9
THR A 257
LEU A 282
VAL A 212
GLY A 215
VAL A 303
1.65A19.95
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.
3S8P_B_SAMB500_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		S-Adenosylmethionine3 / 3
HIS A  41
SER A  46
ASN A 142
1.12A20.00
PJE  C   5 ( 4.9A)
None
PJE  C   5 ( 4.2A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1C9S_Q_TRPQ81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		L-Tryptophan5 / 9
GLY A 170
ALA C   2
THR A 169
GLY A 195
THR A 135
1.54A13.04
None
02J  C   1 ( 3.8A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WKQ_A_IREA1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Gefitinib5 / 12
LEU A 208
LEU A 262
ASP A 245
LEU A 242
THR A 201
1.38A21.74
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.
2AVS_B_MK1B902_1
(POL POLYPROTEIN)		Indinavir5 / 12
ARG A 279
ASP A 216
GLY A 215
ALA A 211
ILE A 281
1.23A17.67
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.
2O5Y_H_STRH249_1
(CHIMERIC ANTIBODY
FAB 1E9-DB3)		Progesterone4 / 7
ASN A 142
GLY A 143
THR A  26
SER A  46
1.66A19.75
23.51
PJE  C   5 ( 4.2A)
010  C   6 ( 3.5A)
010  C   6 ( 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.
5ESE_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Fluconazole5 / 8
TYR A 209
LEU A 208
ILE A 213
GLY A 215
LEU A 220
1.70A19.48
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.
5BXN_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 11
THR A 135
ALA A 173
GLY A 174
THR A 175
CYH A 160
1.54A19.69
21.82
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.
2VXA_G_RBFG200_1
(DODECIN)		Riboflavin4 / 8
HIS A 164
ARG A  40
THR A 190
GLN A 189
1.80A12.72
None