PDB ID: 2z9j


Macromolecule:
3C-LIKE PROTEINASE

Source Organism:
SARSr-CoV

Gene names:
-

UniProt ID:
P0C6X7

SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '2z9j'

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.
4CTJ_A_SAMA1263_0
(NON-STRUCTURAL
PROTEIN 5)		S-Adenosylmethionine5 / 12
GLY B 283
GLY A 138
GLY B   2
VAL A 114
ILE A 136
1.22A21.15
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.
1STF_E_CCSE25_0
(PAPAIN
STEFIN B (CYSTATIN
B))		Carbocisteine5 / 10
GLN B 299
GLY B   2
SER B   1
ALA A 116
GLY A 138
1.49A20.50
17.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VDV_E_SAME1287_0
(TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLU A 288
ASN A 214
ALA A 211
ASP A 295
THR A 199
1.59A20.78
None
None
None
DMS  A 802 ( 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.
5EC8_C_SAMC4000_0
(GENOME POLYPROTEIN)		S-Adenosylmethionine5 / 12
GLY B 283
GLY A 138
GLY B   2
VAL A 114
ILE A 136
1.16A21.15
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.
2XKK_E_MFXE1100_1
(TOPOISOMERASE IV
DNA)		Moxifloxacin3 / 3
ARG B 298
GLU B 288
SER B 301
1.39A17.70
DMS  B 803 (-4.0A)
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.
4Z4D_A_IPHA903_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 5
TYR B 182
LYS B 180
LEU B 177
GLU B 178
1.66A15.87
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.
2WD9_C_IBPC1570_1
(ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL)		Ibuprofen5 / 10
TRP B  31
LEU B  75
VAL B  18
GLY B  29
THR B  35
1.58A19.11
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.
4F3T_A_IPHA902_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 6
TYR B 182
LYS B 180
LEU B 177
GLU B 178
1.74A15.87
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.
1CBR_A_REAA200_1
(CELLULAR RETINOIC
ACID BINDING PROTEIN
TYPE I)		Tretinoin6 / 12
LEU A 271
ALA A 234
PRO A 241
THR A 243
THR A 201
VAL A 204
1.79A19.54
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.
3SUD_D_SUED1201_2
(NS3 PROTEASE, NS4A
PROTEIN)		Grazoprevir4 / 5
PHE B 140
LEU A 282
LYS A   1
ARG B 131
1.78A23.47
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.
4UAC_A_ACRA501_2
(CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT1 FAMILY
(TC 3.A.1.1.-))		Acarbose4 / 7
GLU A 288
SER B 284
GLU B 288
TRP B 218
1.54A22.47
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.
4YB6_A_HISA302_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE)		L-Histidine5 / 10
GLY A  29
VAL A  18
THR A  21
VAL A  36
LEU A  75
1.47A20.35
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.
3KO0_C_TFPC202_1
(PROTEIN S100-A4)		Trifluoperazine5 / 11
SER B 284
LEU A 282
SER A 284
GLU A 288
ASP A 289
1.61A16.27
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.
3MIY_A_B49A1_1
(TYROSINE-PROTEIN
KINASE ITK/TSK)		Sunitinib5 / 11
ALA A 116
PHE A 140
GLY B 302
LEU A 141
SER B   1
1.40A22.05
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.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)		Teniposide5 / 12
LYS A  90
TYR A  37
LEU A 177
GLY A 179
LYS A 180
1.59A18.70
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.
4FU8_A_ACTA302_0
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		Acetic acid4 / 5
TYR A 118
GLN B 299
GLY B 302
SER B 301
1.74A21.98
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.
5EIF_A_SAMA301_0
(GENOME POLYPROTEIN)		S-Adenosylmethionine5 / 12
GLY B 283
GLY A 138
GLY B   2
VAL A 114
ILE A 136
1.22A21.15
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.
5EKX_B_SAMB4000_0
(NS5
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY B 283
GLY A 138
GLY B   2
VAL A 114
ILE A 136
1.22A21.15
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.
6CBD_A_TRPA901_0
(PROTEIN ARGONAUTE-2)		L-Tryptophan4 / 5
TYR B 182
LYS B 180
LEU B 177
GLU B 178
1.57A15.87
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.
3HJ3_A_MTXA605_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		Methotrexate5 / 12
LEU B  27
LEU B  89
SER B  81
ILE B  43
LEU B  58
1.50A20.74
DTZ  B 901 ( 4.8A)
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.
3OU7_A_SAMA300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
ALA A 211
GLY A 215
GLY A   2
SER A   1
LEU A 282
1.64A20.86
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.
4FGZ_A_CQAA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		Amodiaquine4 / 8
GLY B 120
GLY B  29
TYR B  37
VAL B 148
1.21A20.24
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.
6BQG_A_ERMA1201_2
(5-HYDROXYTRYPTAMINE
RECEPTOR 2C,SOLUBLE
CYTOCHROME B562)		Ergotamine4 / 5
VAL A  68
THR A  21
VAL A 148
LEU A  86
1.35A21.65
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.
4XO7_A_ASDA402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		4-Androstenedione4 / 7
TYR A 161
VAL A  13
HIS A 164
LEU A  86
1.56A21.43
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.
2OCF_A_ESTA596_1
(ESTROGEN RECEPTOR)		Estradiol5 / 10
LEU B 220
ALA B 267
GLU B 270
MET B 276
LEU B 208
1.72A22.66
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DAN_B_2FAB301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		Fludarabine5 / 12
SER B   1
GLY A 138
VAL A 171
GLU A 166
SER A 139
1.71A21.79
None
None
None
DMS  A 804 (-4.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RIF_A_IVMA403_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 12
ILE B 106
ILE B 136
GLY B 109
THR B 292
PHE B 294
1.61A24.32
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.
5UVM_B_ADNB207_1
(HISTIDINE TRIAD
(HIT) PROTEIN)		Adenosine6 / 12
VAL B  20
ILE B  43
ASN B  63
LEU B  87
THR B  35
VAL B  36
1.78A19.93
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.
5KPC_B_SAMB401_0
(PAVINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
SER A 301
GLY B 143
ASN B  28
SER B 147
THR B  21
1.34A22.30
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.
5XIO_A_HFGA801_0
(PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE))		Halofuginone5 / 12
PHE B 291
GLU B 290
PHE B   3
SER B   1
GLY A 138
1.53A20.87
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.
4IAA_A_RTZA401_1
(SERINE/THREONINE-PRO
TEIN KINASE PIM-1)		Thioridazine5 / 11
PHE A 150
VAL A 125
ALA B   7
VAL B  13
LEU B 115
1.47A20.94
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.
4AQ7_A_LEUA902_0
(LEUCINE--TRNA LIGASE)		L-Leucine4 / 7
LEU A 141
SER A 139
HIS A 163
HIS A 172
1.60A15.54
None
None
DMS  A 804 (-3.7A)
DMS  A 804 ( 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.
4L1W_A_STRA402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		Progesterone4 / 7
TYR A 161
VAL A  13
HIS A 164
LEU A  86
1.50A21.70
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.
5NJV_D_SAMD301_0
(NS5)		S-Adenosylmethionine5 / 12
GLY B 283
GLY A 138
GLY B   2
VAL A 114
ILE A 136
1.25A20.85
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.
5VIM_A_SAMA301_0
(METHYLTRANSFERASE)		S-Adenosylmethionine6 / 12
GLY A 138
GLY B   2
GLU A 166
VAL A 114
PHE A 112
ILE A 136
1.68A21.52
None
None
DMS  A 804 (-4.1A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WA2_A_SAMA1248_0
(NON-STRUCTURAL
PROTEIN 5)		S-Adenosylmethionine5 / 12
GLY B 283
GLY A 138
GLY B   2
VAL A 114
ILE A 136
1.31A21.88
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.
5KOC_B_SAMB401_0
(PAVINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY A 138
GLY B   2
VAL A 114
VAL A 171
HIS A 163
1.42A22.06
None
None
None
None
DMS  A 804 (-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.
4CTJ_C_SAMC1263_0
(NON-STRUCTURAL
PROTEIN 5)		S-Adenosylmethionine5 / 12
GLY B 283
GLY A 138
GLY B   2
VAL A 114
ILE A 136
1.15A21.15
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.
4MJ8_A_SPMA202_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		Spermine4 / 8
GLU B 288
ILE A 286
GLU A 288
LEU A 282
1.17A17.82
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.
4Z4H_A_IPHA902_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 5
TYR B 182
LYS B 180
LEU B 177
GLU B 178
1.69A15.30
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.
3HS6_B_EPAB1_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Icosapent5 / 12
GLY B  15
PHE B 150
ALA B   7
SER B  10
GLY B  11
1.32A19.56
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.
4Z4C_A_IPHA904_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 6
TYR B 182
LYS B 180
LEU B 177
GLU B 178
1.66A15.87
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.
3DH0_B_SAMB300_0
(SAM DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
ARG A   4
VAL B 296
GLN B 299
ALA B 129
THR B 111
1.43A18.24
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.
4WVD_A_IVMA505_0
(BILE ACID RECEPTOR)		Ivermectin5 / 11
GLU B 178
ASN B  84
HIS B 134
ILE B 106
LEU B  86
1.79A21.59
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.
5EHI_A_SAMA4001_0
(NS5
METHYLTRANSFERASE
DENGUE VIRUS)		S-Adenosylmethionine5 / 12
GLY B 283
GLY A 138
GLY B   2
VAL A 114
ILE A 136
1.23A21.15
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.
3ELU_A_SAMA4633_0
(METHYLTRANSFERASE)		S-Adenosylmethionine6 / 12
GLY B 283
GLY A 138
GLY B   2
VAL A 114
PHE A 112
ILE A 136
1.73A20.96
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.
5HFJ_B_SAMB301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		S-Adenosylmethionine5 / 12
GLN A  19
PHE A 140
GLY A 143
THR A  26
SER B   1
1.60A20.85
None
None
DMS  A 804 (-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.
2Y7K_C_SALC1302_1
(LYSR-TYPE REGULATORY
PROTEIN)		Salicylic acid5 / 12
GLY A 149
PHE A 112
HIS A 163
ARG B   4
ILE A 136
1.05A21.94
None
None
DMS  A 804 (-3.7A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3P97_C_SAMC263_0
(NON-STRUCTURAL
PROTEIN 5)		S-Adenosylmethionine5 / 12
GLY B 283
GLY A 138
GLY B   2
VAL A 114
ILE A 136
1.15A20.73
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.
5NJV_A_SAMA301_0
(NS5)		S-Adenosylmethionine5 / 12
GLY B 283
GLY A 138
GLY B   2
VAL A 114
ILE A 136
1.21A20.85
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.
3MIY_B_B49B2_1
(TYROSINE-PROTEIN
KINASE ITK/TSK)		Sunitinib5 / 9
ALA A 116
PHE A 140
GLY B 302
LEU A 141
SER B   1
1.41A22.05
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.
6DWN_C_AQ4C602_1
(CYTOCHROME P450 1A1)		Erlotinib3 / 3
SER B   1
SER A 139
ALA B 210
0.77A22.49
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.
4CTK_C_SAMC1263_0
(POLYPROTEIN)		S-Adenosylmethionine5 / 12
GLY B 283
GLY A 138
GLY B   2
VAL A 114
ILE A 136
1.18A21.15
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.
3KO0_A_TFPA202_1
(PROTEIN S100-A4)		Trifluoperazine5 / 12
LEU A 282
SER A 284
GLU A 288
ASP A 289
SER B 284
1.61A16.27
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.
3KO0_Q_TFPQ202_1
(PROTEIN S100-A4)		Trifluoperazine5 / 10
SER B 284
LEU A 282
SER A 284
GLU A 288
ASP A 289
1.64A16.27
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.
4PEV_B_ADNB501_2
(MEMBRANE LIPOPROTEIN
FAMILY PROTEIN)		Adenosine3 / 3
PRO A  39
LEU A  87
GLN A  83
1.37A22.80
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.
3P97_A_SAMA263_0
(NON-STRUCTURAL
PROTEIN 5)		S-Adenosylmethionine5 / 12
GLY B 283
GLY A 138
GLY B   2
VAL A 114
ILE A 136
1.21A20.73
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.
1MX1_E_THAE5_1
(LIVER
CARBOXYLESTERASE I)		Tacrine5 / 12
GLY A  11
VAL A  13
VAL B 125
LEU A 115
PHE B 150
1.40A20.99
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.
5X80_C_SALC201_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)		Salicylic acid4 / 7
VAL B  13
VAL B 125
PRO A   9
GLY A  11
1.65A20.32
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.
2OIP_A_MTXA605_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		Methotrexate5 / 12
LEU B  27
LEU B  89
SER B  81
ILE B  43
LEU B  58
1.50A21.33
DTZ  B 901 ( 4.8A)
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.
2BXE_A_1FLA2001_1
(SERUM ALBUMIN)		Diflunisal5 / 11
ILE A 136
TYR A 118
VAL A 114
GLY A 149
SER B   1
1.43A18.70
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.
2VDV_F_SAMF1287_0
(TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE)		S-Adenosylmethionine5 / 11
GLU A 288
ASN A 214
ALA A 211
ASP A 295
THR A 199
1.60A20.78
None
None
None
DMS  A 802 ( 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.
2IVU_A_ZD6A3015_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET
PRECURSOR)		Vandetanib3 / 3
ALA A 116
GLY B 302
SER B   1
0.65A21.33
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.
5U63_A_ACTA406_0
(THIOREDOXIN
REDUCTASE)		Acetic acid3 / 3
HIS A 172
SER B   1
ARG B   4
1.34A21.55
DMS  A 804 ( 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.
4A84_A_DXCA1160_0
(MAJOR POLLEN
ALLERGEN BET V 1-A)		Deoxycholic Acid5 / 12
ILE A 136
TYR A 126
VAL A 114
TYR A 118
SER B   1
1.52A19.54
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.
3KO0_H_TFPH202_1
(PROTEIN S100-A4)		Trifluoperazine5 / 12
GLU A 288
ASP A 289
LEU A 282
SER A 284
SER B 284
1.67A16.27
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.
3NU6_B_478B401_2
(PROTEASE)		Amprenavir5 / 10
GLY A 215
GLY A 258
ILE A 259
VAL A 296
ILE A 213
1.43A17.67
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.
5EHG_C_SAMC4001_0
(RNA-DIRECTED RNA
POLYMERASE NS5)		S-Adenosylmethionine5 / 12
GLY B 283
GLY A 138
GLY B   2
VAL A 114
ILE A 136
1.14A21.15
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.
4PCU_A_SAMA603_0
(CYSTATHIONINE
BETA-SYNTHASE)		S-Adenosylmethionine4 / 7
PHE B 294
ASP B 295
PRO B 252
ILE B 106
1.28A20.11
None
DMS  B 803 ( 4.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MK4_A_CHDA503_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid5 / 10
LEU B 202
LEU B 205
LEU B 208
ILE B 249
VAL B 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.
5DXB_A_ESTA1000_1
(ESTROGEN RECEPTOR)		Estradiol5 / 10
LEU B 220
ALA B 267
GLU B 270
MET B 276
LEU B 208
1.78A20.45
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.
2BXE_B_1FLB2001_1
(SERUM ALBUMIN)		Diflunisal5 / 12
ILE A 136
TYR A 118
VAL A 114
GLY A 149
SER B   1
1.45A18.70
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.
4CTK_A_SAMA1263_0
(POLYPROTEIN)		S-Adenosylmethionine5 / 12
GLY B 283
GLY A 138
GLY B   2
VAL A 114
ILE A 136
1.21A21.15
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.
2W8Y_A_486A1000_2
(PROGESTERONE
RECEPTOR)		Mifepristone4 / 7
LEU A 205
ASN A 203
GLU A 288
LEU A 282
1.50A20.77
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.
2Z0Y_A_SAMA300_0
(PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0657)		S-Adenosylmethionine5 / 9
ALA B 210
VAL B 212
VAL B 296
ILE B 259
ALA B 206
1.36A20.62
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.
5D4U_C_SAMC301_0
(UNCHARACTERIZED
PROTEIN MJ0489)		S-Adenosylmethionine5 / 12
ILE B 286
LEU B 287
GLY B 283
ILE B 281
GLY A 138
1.26A21.66
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5F9Z_B_HFGB703_0
(AMINOACYL-TRNA
SYNTHETASE)		Halofuginone5 / 12
SER B 113
VAL B 125
ARG A   4
GLU A 288
GLY A 283
1.75A21.06
DMS  B 803 ( 4.5A)
None
None
None
None