SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2wya'

List of Similar Pattern of Amino Acids

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Dali
Z-score		 Seq.
Identity (%)		 View 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.
1QCA_A_FUAA221_1
(TYPE III
CHLORAMPHENICOL
ACETYLTRANSFERASE)		 2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 7 CYH A 389
THR A 368
SER A 392
LEU A 266
 None
 1.02A 1qcaA-2wyaA:
undetectable		 1qcaA-2wyaA:
16.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XZX_X_T3X500_2
(THYROID HORMONE
RECEPTOR BETA-1)		 2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens) 		3 / 3 PHE A 290
ARG A 268
ASN A 318
 None
 0.76A 1xzxX-2wyaA:
undetectable		 1xzxX-2wyaA:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F16_2_BO221405_1
(PROTEASOME COMPONENT
PRE3)		 2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 11 THR A 163
THR A 162
SER A 414
GLY A 413
ALA A 417
 None
None
HMG  A1509 (-3.4A)
HMG  A1509 (-3.5A)
None
 0.85A 2f162-2wyaA:
undetectable		 2f162-2wyaA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F16_N_BO2N1404_1
(PROTEASOME COMPONENT
PRE3)		 2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 11 THR A 163
THR A 162
SER A 414
GLY A 413
ALA A 417
 None
None
HMG  A1509 (-3.4A)
HMG  A1509 (-3.5A)
None
 0.84A 2f16N-2wyaA:
undetectable		 2f16N-2wyaA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FUM_D_MIXD3539_2
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		 2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens) 		3 / 3 VAL A 110
VAL A 192
ASP A 156
 None
 0.58A 2fumD-2wyaA:
undetectable		 2fumD-2wyaA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2GVC_B_MMZB501_1
(MONOOXYGENASE)		 2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens) 		3 / 3 ASN A 465
TYR A  76
SER A 202
 None
 0.94A 2gvcB-2wyaA:
undetectable		 2gvcB-2wyaA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2GVC_E_MMZE501_1
(MONOOXYGENASE)		 2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens) 		3 / 3 ASN A 465
TYR A  76
SER A 202
 None
 0.95A 2gvcE-2wyaA:
undetectable		 2gvcE-2wyaA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HZQ_A_STRA300_1
(APOLIPOPROTEIN D)		 2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 7 THR A 233
ALA A 177
ASN A 178
LEU A 226
 None
 1.11A 2hzqA-2wyaA:
undetectable		 2hzqA-2wyaA:
16.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OAX_D_SNLD4001_2
(MINERALOCORTICOID
RECEPTOR)		 2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 5 LEU A 145
LEU A 113
CYH A 194
THR A 131
 None
 1.42A 2oaxD-2wyaA:
undetectable		 2oaxD-2wyaA:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PKM_A_ADNA501_1
(ADENOSINE KINASE)		 2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 ALA A 171
GLY A 169
GLY A 168
GLY A 195
ASP A 196
 None
 0.91A 2pkmA-2wyaA:
undetectable		 2pkmA-2wyaA:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 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)		 2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens) 		3 / 3 LEU A 492
ASN A 103
ARG A 501
 None
 0.84A 2qhfA-2wyaA:
undetectable		 2qhfA-2wyaA:
23.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QWX_B_ML1B233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 7 TRP A 281
GLY A 408
MET A 298
GLY A 229
PHE A 290
 None
 1.34A 2qwxA-2wyaA:
undetectable
2qwxB-2wyaA:
undetectable		 2qwxA-2wyaA:
19.26
2qwxB-2wyaA:
19.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DAU_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 ILE A  56
ALA A 222
ALA A 190
ILE A 117
LEU A 113
 None
 0.97A 3dauA-2wyaA:
undetectable		 3dauA-2wyaA:
15.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FW1_A_STIA233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 10 PHE A 421
GLY A 169
THR A 383
TYR A 387
GLU A 128
 None
 1.38A 3fw1A-2wyaA:
undetectable		 3fw1A-2wyaA:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LN1_A_CELA682_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 8 SER A 272
LEU A 292
ILE A 277
PHE A 290
 None
 0.95A 3ln1A-2wyaA:
undetectable		 3ln1A-2wyaA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LN1_B_CELB682_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 7 SER A 272
LEU A 292
ILE A 277
PHE A 290
 None
 0.95A 3ln1B-2wyaA:
undetectable		 3ln1B-2wyaA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LN1_C_CELC682_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 7 SER A 272
LEU A 292
ILE A 277
PHE A 290
 None
 0.95A 3ln1C-2wyaA:
undetectable		 3ln1C-2wyaA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MG0_2_BO221405_1
(PROTEASOME COMPONENT
PRE3
PROTEASOME COMPONENT
PUP1)		 2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 THR A 163
THR A 162
SER A 414
GLY A 413
ALA A 417
 None
None
HMG  A1509 (-3.4A)
HMG  A1509 (-3.5A)
None
 0.83A 3mg02-2wyaA:
undetectable
3mg0V-2wyaA:
undetectable		 3mg02-2wyaA:
18.18
3mg0V-2wyaA:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MG0_N_BO2N1404_1
(PROTEASOME COMPONENT
PRE3)		 2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 11 THR A 163
THR A 162
SER A 414
GLY A 413
ALA A 417
 None
None
HMG  A1509 (-3.4A)
HMG  A1509 (-3.5A)
None
 0.84A 3mg0N-2wyaA:
undetectable		 3mg0N-2wyaA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ONN_A_ACTA270_0
(PROTEIN SSM1)		 2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 5 LEU A 438
SER A 441
ARG A 116
LEU A 394
 None
 1.27A 3onnA-2wyaA:
undetectable		 3onnA-2wyaA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3R9V_B_DXCB1_0
(INVASIN IPAD)		 2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 7 ILE A 299
LEU A 386
LEU A 173
VAL A  54
 None
 1.00A 3r9vA-2wyaA:
undetectable
3r9vB-2wyaA:
undetectable		 3r9vA-2wyaA:
21.72
3r9vB-2wyaA:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RAV_A_RAVA183_1
(FERRITIN LIGHT CHAIN)		 2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 6 LEU A 372
SER A 392
TYR A 373
ALA A 391
 None
 1.04A 3ravA-2wyaA:
undetectable		 3ravA-2wyaA:
18.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T3R_B_9PLB501_1
(CYTOCHROME P450 2A6)		 2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 9 VAL A 192
PHE A 423
ILE A  56
GLY A  55
PHE A 421
 None
 1.28A 3t3rB-2wyaA:
undetectable		 3t3rB-2wyaA:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T3R_C_9PLC501_1
(CYTOCHROME P450 2A6)		 2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 9 VAL A 192
PHE A 423
ILE A  56
GLY A  55
PHE A 421
 None
 1.34A 3t3rC-2wyaA:
undetectable		 3t3rC-2wyaA:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T3R_D_9PLD501_1
(CYTOCHROME P450 2A6)		 2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 10 VAL A 192
PHE A 423
ILE A  56
GLY A  55
PHE A 421
 None
 1.36A 3t3rD-2wyaA:
undetectable		 3t3rD-2wyaA:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TWP_D_SALD404_1
(ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE)		 2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 5 ASN A 164
ALA A 165
TYR A 412
ALA A 418
 None
HMG  A1509 (-3.1A)
HMG  A1509 ( 4.8A)
None
 1.30A 3twpD-2wyaA:
undetectable		 3twpD-2wyaA:
19.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U7S_A_017A202_2
(POL POLYPROTEIN)		 2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 9 GLY A 195
ALA A 213
GLY A 388
LEU A 113
VAL A 109
 None
 1.02A 3u7sB-2wyaA:
undetectable		 3u7sB-2wyaA:
11.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C5N_A_PXLA300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 7 GLY A 212
GLY A 195
VAL A  61
MET A 381
 None
 0.88A 4c5nA-2wyaA:
undetectable		 4c5nA-2wyaA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KJJ_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 ILE A  56
ALA A 222
ALA A 190
ILE A 117
LEU A 113
 None
 1.04A 4kjjA-2wyaA:
undetectable		 4kjjA-2wyaA:
15.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LZR_A_LOCA201_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		 2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 8 VAL A 193
LEU A 145
ASP A 101
ILE A 102
 None
 0.82A 4lzrA-2wyaA:
undetectable		 4lzrA-2wyaA:
15.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PSY_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 ILE A  56
ALA A 222
ALA A 190
ILE A 117
LEU A 113
 None
 0.99A 4psyA-2wyaA:
undetectable		 4psyA-2wyaA:
15.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YMG_B_SAMB1001_1
(PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE)		 2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens) 		3 / 3 SER A 322
GLU A 344
GLU A 236
 None
 0.61A 4ymgB-2wyaA:
undetectable		 4ymgB-2wyaA:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IH0_A_ERYA404_0
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 ILE A 299
GLY A 388
GLU A 227
ILE A  56
MET A 216
 None
 1.25A 5ih0A-2wyaA:
undetectable		 5ih0A-2wyaA:
20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IY5_T_CHDT103_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		 2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 10 GLY A 209
THR A 302
ARG A 452
PHE A  63
GLY A 212
 None
 1.07A 5iy5A-2wyaA:
0.0
5iy5B-2wyaA:
0.0
5iy5T-2wyaA:
0.0		 5iy5A-2wyaA:
20.60
5iy5B-2wyaA:
18.44
5iy5T-2wyaA:
14.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KB5_A_ADNA401_2
(ADENOSINE KINASE)		 2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 4 ASN A 378
LEU A 374
SER A 385
LEU A 372
 None
 1.35A 5kb5A-2wyaA:
undetectable		 5kb5A-2wyaA:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L5Z_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 THR A 163
THR A 162
SER A 414
GLY A 413
ALA A 417
 None
None
HMG  A1509 (-3.4A)
HMG  A1509 (-3.5A)
None
 0.81A 5l5zV-2wyaA:
undetectable
5l5zb-2wyaA:
undetectable		 5l5zV-2wyaA:
19.74
5l5zb-2wyaA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L5Z_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 THR A 163
THR A 162
SER A 414
GLY A 413
ALA A 417
 None
None
HMG  A1509 (-3.4A)
HMG  A1509 (-3.5A)
None
 0.81A 5l5zH-2wyaA:
undetectable
5l5zN-2wyaA:
undetectable		 5l5zH-2wyaA:
19.74
5l5zN-2wyaA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L6E_A_SAMA601_0
(N6-ADENOSINE-METHYLT
RANSFERASE 70 KDA
SUBUNIT)		 2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 PRO A 303
SER A 375
HIS A 377
PHE A 304
GLY A  89
 HMG  A1509 (-3.7A)
None
None
HMG  A1509 (-4.1A)
None
 0.98A 5l6eA-2wyaA:
undetectable		 5l6eA-2wyaA:
18.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LF3_B_BO2B305_1
(PROTEASOME SUBUNIT
BETA TYPE-6)		 2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 THR A 162
THR A 163
ALA A 140
THR A 143
SER A 172
 None
 1.30A 5lf3b-2wyaA:
undetectable		 5lf3b-2wyaA:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LF3_B_BO2B305_1
(PROTEASOME SUBUNIT
BETA TYPE-6)		 2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 THR A 163
THR A 162
SER A 414
GLY A 413
ALA A 417
 None
None
HMG  A1509 (-3.4A)
HMG  A1509 (-3.5A)
None
 0.88A 5lf3b-2wyaA:
undetectable		 5lf3b-2wyaA:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LF3_N_BO2N304_1
(PROTEASOME SUBUNIT
BETA TYPE-6)		 2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 THR A 162
THR A 163
ALA A 140
THR A 143
SER A 172
 None
 1.30A 5lf3N-2wyaA:
undetectable		 5lf3N-2wyaA:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LF3_N_BO2N304_1
(PROTEASOME SUBUNIT
BETA TYPE-6)		 2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 THR A 163
THR A 162
SER A 414
GLY A 413
ALA A 417
 None
None
HMG  A1509 (-3.4A)
HMG  A1509 (-3.5A)
None
 0.88A 5lf3N-2wyaA:
undetectable		 5lf3N-2wyaA:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NFJ_A_SAMA501_0
(MITOCHONDRIAL
RIBONUCLEASE P
PROTEIN 1)		 2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 ILE A 218
GLY A 219
LEU A  59
LEU A 394
LEU A 224
 None
 0.96A 5nfjA-2wyaA:
undetectable		 5nfjA-2wyaA:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TTF_C_SAMC1505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 MET A  93
GLY A  94
SER A 384
TYR A 382
GLN A  90
 None
None
None
HMG  A1509 ( 4.4A)
None
 1.45A 5ttfC-2wyaA:
undetectable		 5ttfC-2wyaA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V9I_D_SAMD1505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 MET A  93
GLY A  94
SER A 384
TYR A 382
GLN A  90
 None
None
None
HMG  A1509 ( 4.4A)
None
 1.47A 5v9iD-2wyaA:
undetectable		 5v9iD-2wyaA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		 2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 ASP A 444
ILE A  56
THR A 383
ALA A 213
GLU A  60
 None
 1.21A 5vcgA-2wyaA:
undetectable		 5vcgA-2wyaA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WYQ_A_SAMA401_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		 2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 GLY A 210
GLY A 212
SER A  97
ILE A 463
GLY A  94
 None
 1.02A 5wyqA-2wyaA:
undetectable		 5wyqA-2wyaA:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X24_A_LSNA503_1
(CYTOCHROME P450 2C9)		 2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 6 PHE A 486
PRO A 487
GLY A 488
THR A 489
 None
 0.64A 5x24A-2wyaA:
undetectable		 5x24A-2wyaA:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		 2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens) 		3 / 3 ALA A  58
VAL A 124
TYR A 189
 None
 0.69A 5zmqH-2wyaA:
undetectable		 5zmqH-2wyaA:
18.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EKZ_A_SNPA414_0
(AROMATIC
PEROXYGENASE)		 2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 5 PHE A 149
PRO A 120
MET A 114
VAL A 124
 None
 1.23A 6ekzA-2wyaA:
undetectable		 6ekzA-2wyaA:
12.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNG_B_QPSB601_2
(-)		 2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 GLY A 210
GLY A 209
GLY A 130
HIS A 301
PRO A 251
 None
None
None
HMG  A1509 (-4.1A)
None
 1.11A 6gngB-2wyaA:
undetectable		 6gngB-2wyaA:
21.78