SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3w3a'

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.
1HVY_D_D16D417_1
(THYMIDYLATE SYNTHASE)		 3w3a V-TYPE ATP SYNTHASE
SUBUNIT D
V-TYPE ATP SYNTHASE
SUBUNIT F
(Thermus
thermophilus) 		5 / 12 GLU H  49
LEU H  72
GLY H  88
MET G  47
ALA G  46
 None
 0.94A 1hvyD-3w3aH:
undetectable		 1hvyD-3w3aH:
16.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KNY_A_KANA558_1
(KANAMYCIN
NUCLEOTIDYLTRANSFERA
SE)		 3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN
V-TYPE ATP SYNTHASE
BETA CHAIN
(Thermus
thermophilus) 		4 / 7 SER D 340
ASP D 353
GLU D 342
GLU A 466
 None
 1.20A 1knyA-3w3aD:
undetectable
1knyB-3w3aD:
undetectable		 1knyA-3w3aD:
20.87
1knyB-3w3aD:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KNY_B_KANB559_1
(KANAMYCIN
NUCLEOTIDYLTRANSFERA
SE)		 3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN
V-TYPE ATP SYNTHASE
BETA CHAIN
(Thermus
thermophilus) 		4 / 8 GLU A 466
SER D 340
ASP D 353
GLU D 342
 None
 1.18A 1knyA-3w3aA:
2.5
1knyB-3w3aA:
2.5		 1knyA-3w3aA:
18.17
1knyB-3w3aA:
18.17
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.
1PKV_A_RBFA100_1
(RIBOFLAVIN SYNTHASE
ALPHA CHAIN)		 3w3a V-TYPE ATP SYNTHASE
BETA CHAIN
(Thermus
thermophilus) 		6 / 11 LEU D 314
THR D 261
THR D 329
ILE D 332
THR D 333
ILE D 294
 None
 1.23A 1pkvA-3w3aD:
4.8
1pkvB-3w3aD:
4.8		 1pkvA-3w3aD:
12.94
1pkvB-3w3aD:
12.94
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.
1PKV_B_RBFB101_1
(RIBOFLAVIN SYNTHASE
ALPHA CHAIN)		 3w3a V-TYPE ATP SYNTHASE
BETA CHAIN
(Thermus
thermophilus) 		6 / 11 ILE D 294
LEU D 314
THR D 261
THR D 329
ILE D 332
THR D 333
 None
 1.24A 1pkvA-3w3aD:
4.8
1pkvB-3w3aD:
4.8		 1pkvA-3w3aD:
12.94
1pkvB-3w3aD:
12.94
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.
1R55_A_097A518_1
(ADAM 33)		 3w3a V-TYPE ATP SYNTHASE
BETA CHAIN
(Thermus
thermophilus) 		5 / 10 ALA D 171
THR D 172
VAL D 173
GLU D 182
ALA D 188
 None
 1.06A 1r55A-3w3aD:
undetectable		 1r55A-3w3aD:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Z95_A_198A501_1
(ANDROGEN RECEPTOR)		 3w3a V-TYPE ATP SYNTHASE
BETA CHAIN
(Thermus
thermophilus) 		5 / 12 GLY D 426
GLN D 427
ARG D 210
THR D 137
ILE D 423
 None
 1.40A 1z95A-3w3aD:
undetectable		 1z95A-3w3aD:
19.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A1O_B_CAMB2422_0
(CYTOCHROME P450-CAM)		 3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN
(Thermus
thermophilus) 		5 / 9 THR A  55
LEU A  35
VAL A  30
GLY A  31
ILE A   9
 None
 1.20A 2a1oB-3w3aA:
undetectable		 2a1oB-3w3aA:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJF_A_ADNA2001_1
(235AA LONG
HYPOTHETICAL
BIOTIN--[ACETYL-COA-
CARBOXYLASE] LIGASE)		 3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN
(Thermus
thermophilus) 		4 / 7 ALA A 301
ASN A 290
PRO A 295
ALA A 298
 None
 1.03A 2ejfA-3w3aA:
undetectable		 2ejfA-3w3aA:
18.13
Potential target for repurposing, i.e. matched protein structure has less than 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_B_SNLB2001_2
(MINERALOCORTICOID
RECEPTOR)		 3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN
(Thermus
thermophilus) 		4 / 4 LEU A 215
LEU A 435
MET A 516
MET A 509
 None
 1.48A 2oaxB-3w3aA:
0.2		 2oaxB-3w3aA:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X0P_A_ADNA1607_1
(ALCALIGIN
BIOSYNTHESIS PROTEIN)		 3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN
V-TYPE ATP SYNTHASE
BETA CHAIN
(Thermus
thermophilus) 		4 / 8 GLY D 271
ILE D 232
ALA A 346
GLU D 269
 None
 0.89A 2x0pA-3w3aD:
undetectable		 2x0pA-3w3aD:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 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_A_SALA1303_1
(LYSR-TYPE REGULATORY
PROTEIN)		 3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN
V-TYPE ATP SYNTHASE
BETA CHAIN
(Thermus
thermophilus) 		4 / 7 PRO A 352
ILE A 337
PRO D  17
GLY D  16
 None
 0.93A 2y7kA-3w3aA:
undetectable		 2y7kA-3w3aA:
17.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YLD_A_ASCA130_0
(CYTOCHROME C')		 3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN
(Thermus
thermophilus) 		4 / 5 ALA A  16
GLY A  37
CYH A  28
LYS A  29
 None
 1.50A 2yldA-3w3aA:
undetectable		 2yldA-3w3aA:
12.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YLG_A_ASCA130_0
(CYTOCHROME C')		 3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN
(Thermus
thermophilus) 		4 / 5 ALA A  16
GLY A  37
CYH A  28
LYS A  29
 None
 1.36A 2ylgA-3w3aA:
2.7		 2ylgA-3w3aA:
11.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZGW_A_ADNA1301_1
(BIOTIN--[ACETYL-COA-
CARBOXYLASE] LIGASE)		 3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN
(Thermus
thermophilus) 		4 / 7 ALA A 301
ASN A 290
PRO A 295
ALA A 298
 None
 0.97A 2zgwA-3w3aA:
undetectable		 2zgwA-3w3aA:
18.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZGW_B_ADNB1302_1
(BIOTIN--[ACETYL-COA-
CARBOXYLASE] LIGASE)		 3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN
(Thermus
thermophilus) 		4 / 6 ALA A 301
ASN A 290
PRO A 295
ALA A 298
 None
 1.02A 2zgwB-3w3aA:
undetectable		 2zgwB-3w3aA:
18.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3B7E_B_ZMRB1002_1
(NEURAMINIDASE)		 3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN
(Thermus
thermophilus) 		5 / 12 GLU A  38
SER A 338
GLU A 343
ARG A 357
TYR A  25
 None
 1.45A 3b7eB-3w3aA:
undetectable		 3b7eB-3w3aA:
19.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EKQ_A_ROCA100_1
(PROTEASE)		 3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN
(Thermus
thermophilus) 		5 / 12 GLY A 254
ILE A 380
VAL A 381
GLY A 382
ILE A 303
 None
 0.82A 3ekqA-3w3aA:
undetectable		 3ekqA-3w3aA:
10.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3F78_A_ICFA1_1
(INTEGRIN ALPHA-L)		 3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN
(Thermus
thermophilus) 		5 / 9 ILE A  40
TYR A  25
ILE A  39
LEU A  42
TYR A 353
 None
 1.29A 3f78A-3w3aA:
3.5		 3f78A-3w3aA:
15.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KK6_A_CELA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN
(Thermus
thermophilus) 		5 / 12 SER A 427
ILE A 226
GLY A 382
ALA A 383
SER A 328
 None
 0.96A 3kk6A-3w3aA:
undetectable		 3kk6A-3w3aA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LSF_B_PZIB802_0
(GLUTAMATE RECEPTOR 2)		 3w3a V-TYPE ATP SYNTHASE
BETA CHAIN
(Thermus
thermophilus) 		3 / 3 SER D 156
ASP D 259
ASN D 262
 None
 0.67A 3lsfB-3w3aD:
undetectable
3lsfE-3w3aD:
undetectable		 3lsfB-3w3aD:
20.52
3lsfE-3w3aD:
20.52
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.
3LSF_E_PZIE802_0
(GLUTAMATE RECEPTOR 2)		 3w3a V-TYPE ATP SYNTHASE
BETA CHAIN
(Thermus
thermophilus) 		3 / 3 ASP D 259
ASN D 262
SER D 156
 None
 0.74A 3lsfB-3w3aD:
undetectable
3lsfE-3w3aD:
undetectable		 3lsfB-3w3aD:
20.52
3lsfE-3w3aD:
20.52
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.
3LSL_A_PZIA802_0
(GLUTAMATE RECEPTOR 2)		 3w3a V-TYPE ATP SYNTHASE
BETA CHAIN
(Thermus
thermophilus) 		3 / 3 ASP D 259
ASN D 262
SER D 156
 None
 0.65A 3lslA-3w3aD:
undetectable
3lslD-3w3aD:
undetectable		 3lslA-3w3aD:
20.52
3lslD-3w3aD:
20.52
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.
3LSL_D_PZID802_0
(GLUTAMATE RECEPTOR 2)		 3w3a V-TYPE ATP SYNTHASE
BETA CHAIN
(Thermus
thermophilus) 		3 / 3 SER D 156
ASP D 259
ASN D 262
 None
 0.75A 3lslA-3w3aD:
undetectable
3lslD-3w3aD:
undetectable		 3lslA-3w3aD:
20.52
3lslD-3w3aD:
20.52
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.
3NDU_D_ROCD100_3
(PROTEASE)		 3w3a V-TYPE ATP SYNTHASE
SUBUNIT D
(Thermus
thermophilus) 		3 / 3 ARG G 128
VAL G  75
THR G 119
 None
 0.82A 3nduD-3w3aG:
undetectable		 3nduD-3w3aG:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NMU_F_SAMF228_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE
NOP5/NOP56 RELATED
PROTEIN)		 3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN
(Thermus
thermophilus) 		5 / 12 GLU A 311
TYR A 312
GLY A 376
PHE A 313
GLN A 316
 None
 1.29A 3nmuA-3w3aA:
undetectable
3nmuF-3w3aA:
undetectable		 3nmuA-3w3aA:
22.56
3nmuF-3w3aA:
17.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NMU_J_SAMJ228_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE
NOP5/NOP56 RELATED
PROTEIN)		 3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN
(Thermus
thermophilus) 		5 / 11 GLU A 311
TYR A 312
GLY A 376
PHE A 313
GLN A 316
 None
 1.21A 3nmuB-3w3aA:
undetectable
3nmuJ-3w3aA:
undetectable		 3nmuB-3w3aA:
22.56
3nmuJ-3w3aA:
17.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NVK_J_SAMJ228_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE
NOP5/NOP56 RELATED
PROTEIN)		 3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN
(Thermus
thermophilus) 		5 / 12 GLU A 311
TYR A 312
GLY A 376
PHE A 313
GLN A 316
 None
 1.14A 3nvkF-3w3aA:
undetectable
3nvkJ-3w3aA:
undetectable		 3nvkF-3w3aA:
22.18
3nvkJ-3w3aA:
17.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PRS_A_RITA1001_2
(ENDOTHIAPEPSIN)		 3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN
(Thermus
thermophilus) 		5 / 12 ASP A 452
GLY A 514
ASP A 446
ASP A 436
PHE A 563
 None
 1.13A 3prsA-3w3aA:
undetectable		 3prsA-3w3aA:
18.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QGT_B_CP6B609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3w3a V-TYPE ATP SYNTHASE
BETA CHAIN
(Thermus
thermophilus) 		5 / 10 ILE D 311
SER D 357
ILE D 352
ILE D 152
THR D 309
 None
 1.29A 3qgtB-3w3aD:
undetectable		 3qgtB-3w3aD:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UG8_A_IMNA2001_2
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN
(Thermus
thermophilus) 		3 / 3 TYR A 553
GLU A 556
TYR A 506
 None
 1.01A 3ug8A-3w3aA:
undetectable		 3ug8A-3w3aA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UR0_B_SVRB516_1
(RNA-DEPENDENT RNA
POLYMERASE)		 3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN
(Thermus
thermophilus) 		4 / 7 PRO A 201
GLY A 221
ALA A 219
ALA A 405
 None
 0.88A 3ur0B-3w3aA:
undetectable		 3ur0B-3w3aA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UR0_C_SVRC516_1
(RNA-DEPENDENT RNA
POLYMERASE)		 3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN
(Thermus
thermophilus) 		5 / 9 PRO A 201
GLY A 221
ALA A 219
ALA A 405
LEU A 435
 None
 1.13A 3ur0C-3w3aA:
undetectable		 3ur0C-3w3aA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UR0_C_SVRC516_1
(RNA-DEPENDENT RNA
POLYMERASE)		 3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN
(Thermus
thermophilus) 		5 / 9 PRO A 201
GLY A 222
ALA A 219
ALA A 405
LEU A 435
 None
 1.11A 3ur0C-3w3aA:
undetectable		 3ur0C-3w3aA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ZWI_A_ASCA156_0
(CYTOCHROME C')		 3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN
(Thermus
thermophilus) 		4 / 5 ALA A  16
GLY A  37
CYH A  28
LYS A  29
 None
 1.47A 3zwiA-3w3aA:
undetectable		 3zwiA-3w3aA:
12.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A97_C_ZPCC1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN
(Thermus
thermophilus) 		5 / 12 VAL A 251
ILE A 288
GLU A 140
TYR A 312
VAL A 305
 None
 0.91A 4a97B-3w3aA:
2.5
4a97C-3w3aA:
2.6		 4a97B-3w3aA:
19.22
4a97C-3w3aA:
19.22
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.
4AZT_A_SAMA1472_1
(METHYLTRANSFERASE
WBDD)		 3w3a V-TYPE ATP SYNTHASE
BETA CHAIN
(Thermus
thermophilus) 		3 / 3 GLN D 425
ASP D 139
GLN D 132
 None
 0.83A 4aztA-3w3aD:
2.2		 4aztA-3w3aD:
22.26
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.
4B7Q_B_ZMRB601_1
(NEURAMINIDASE)		 3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN
(Thermus
thermophilus) 		5 / 12 GLU A  38
SER A 338
GLU A 343
ARG A 357
TYR A  25
 None
 1.45A 4b7qB-3w3aA:
undetectable		 4b7qB-3w3aA:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GH8_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 3w3a V-TYPE ATP SYNTHASE
BETA CHAIN
(Thermus
thermophilus) 		5 / 12 ILE D 135
ALA D 171
LEU D 144
ILE D 152
PRO D 312
 None
 1.12A 4gh8A-3w3aD:
undetectable		 4gh8A-3w3aD:
18.22
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.
4GH8_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		 3w3a V-TYPE ATP SYNTHASE
BETA CHAIN
(Thermus
thermophilus) 		5 / 12 ILE D 135
ALA D 171
LEU D 144
ILE D 152
PRO D 312
 None
 1.11A 4gh8B-3w3aD:
undetectable		 4gh8B-3w3aD:
18.22
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.
4GKH_F_KANF301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN
V-TYPE ATP SYNTHASE
BETA CHAIN
(Thermus
thermophilus) 		4 / 8 ASP A  26
ARG A  23
GLU A 300
GLU D  62
 None
 1.15A 4gkhF-3w3aA:
undetectable		 4gkhF-3w3aA:
18.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HTF_A_ACTA303_0
(S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN
(Thermus
thermophilus) 		3 / 3 TYR A 184
HIS A 109
ARG A 113
 None
 1.03A 4htfA-3w3aA:
undetectable		 4htfA-3w3aA:
18.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IV8_A_SAMA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN
(Thermus
thermophilus) 		6 / 12 GLY A 254
GLY A 256
ILE A 303
ILE A 288
ALA A 324
LEU A 322
 None
 1.43A 4iv8A-3w3aA:
undetectable		 4iv8A-3w3aA:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IV8_B_SAMB301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN
(Thermus
thermophilus) 		6 / 12 GLY A 254
GLY A 256
ILE A 303
ILE A 288
ALA A 324
LEU A 322
 None
 1.45A 4iv8B-3w3aA:
undetectable		 4iv8B-3w3aA:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LTW_A_STRA301_1
(ANCESTRAL STEROID
RECEPTOR 2)		 3w3a V-TYPE ATP SYNTHASE
SUBUNIT D
V-TYPE ATP SYNTHASE
SUBUNIT F
(Thermus
thermophilus) 		5 / 12 LEU H  71
LEU H  72
LEU G 137
MET G  47
LEU G 147
 None
 1.10A 4ltwA-3w3aH:
undetectable		 4ltwA-3w3aH:
18.47
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.
4LUH_A_ACTA608_0
(SERUM ALBUMIN)		 3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN
(Thermus
thermophilus) 		4 / 4 PRO A 473
ASP A 474
LEU A 476
ARG A 481
 None
 1.27A 4luhA-3w3aA:
0.0		 4luhA-3w3aA:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OQR_A_2UOA502_1
(CYP105AS1)		 3w3a V-TYPE ATP SYNTHASE
SUBUNIT D
V-TYPE ATP SYNTHASE
SUBUNIT F
(Thermus
thermophilus) 		5 / 9 VAL H  47
ILE G 138
VAL G 140
ALA G 141
THR G 145
 None
 1.32A 4oqrA-3w3aH:
undetectable		 4oqrA-3w3aH:
13.22
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.
4P6X_I_HCYI900_2
(GLUCOCORTICOID
RECEPTOR)		 3w3a V-TYPE ATP SYNTHASE
BETA CHAIN
(Thermus
thermophilus) 		3 / 3 MET D 194
MET D 316
TYR D 263
 None
 1.33A 4p6xI-3w3aD:
undetectable		 4p6xI-3w3aD:
20.35
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.
4PFJ_B_ADNB502_2
(ADENOSYLHOMOCYSTEINA
SE)		 3w3a V-TYPE ATP SYNTHASE
BETA CHAIN
(Thermus
thermophilus) 		4 / 6 THR D 133
GLN D 425
THR D 371
HIS D 375
 None
 1.27A 4pfjB-3w3aD:
undetectable		 4pfjB-3w3aD:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QTU_D_SAMD301_1
(PUTATIVE
METHYLTRANSFERASE
BUD23)		 3w3a V-TYPE ATP SYNTHASE
BETA CHAIN
(Thermus
thermophilus) 		4 / 5 GLN D 338
LEU D 339
SER D 340
ASP D 391
 None
 1.14A 4qtuD-3w3aD:
3.2		 4qtuD-3w3aD:
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.
4UBS_A_DIFA503_1
(PENTALENIC ACID
SYNTHASE)		 3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN
(Thermus
thermophilus) 		4 / 7 LEU A 435
THR A 379
ALA A 224
LEU A 430
 None
 0.86A 4ubsA-3w3aA:
undetectable		 4ubsA-3w3aA:
23.35
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.
4UCK_B_SAMB2409_1
(RNA-DIRECTED RNA
POLYMERASE L)		 3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN
V-TYPE ATP SYNTHASE
BETA CHAIN
(Thermus
thermophilus;
Thermus
thermophilus) 		4 / 6 GLY D  10
GLU D  22
ASP A  43
ASP D  67
 None
 1.03A 4uckB-3w3aD:
undetectable		 4uckB-3w3aD:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		 3w3a V-TYPE ATP SYNTHASE
BETA CHAIN
(Thermus
thermophilus) 		3 / 3 GLU D  49
ALA D  55
PHE D  20
 None
 0.67A 4v1fA-3w3aD:
undetectable		 4v1fA-3w3aD:
12.29
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3w3a V-TYPE ATP SYNTHASE
BETA CHAIN
(Thermus
thermophilus) 		4 / 6 LEU D 257
ASP D 259
ILE D 332
PRO D 317
 None
 1.00A 4xi3C-3w3aD:
undetectable		 4xi3C-3w3aD:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5A06_F_SORF1343_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN
V-TYPE ATP SYNTHASE
BETA CHAIN
(Thermus
thermophilus;
Thermus
thermophilus) 		4 / 7 ARG D 341
ARG A 401
ASP D 259
TYR A 428
 None
 1.35A 5a06F-3w3aD:
undetectable		 5a06F-3w3aD:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EIW_A_SAMA301_0
(NS5
METHYLTRANSFERASE)		 3w3a V-TYPE ATP SYNTHASE
BETA CHAIN
(Thermus
thermophilus) 		5 / 12 GLY D 369
GLY D 365
GLY D 367
GLU D 128
ILE D 131
 None
 0.96A 5eiwA-3w3aD:
undetectable		 5eiwA-3w3aD:
19.13
Potential target for repurposing, i.e. matched protein structure has less than 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_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN
V-TYPE ATP SYNTHASE
BETA CHAIN
(Thermus
thermophilus;
Thermus
thermophilus) 		4 / 6 TYR A 353
ILE D  14
ARG A  41
TYR D  13
 None
 1.47A 5igyA-3w3aA:
undetectable		 5igyA-3w3aA:
21.74
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.
5JLI_A_ASCA202_0
(CYTOCHROME C')		 3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN
(Thermus
thermophilus) 		4 / 5 ALA A  16
GLY A  37
CYH A  28
LYS A  29
 None
 1.35A 5jliA-3w3aA:
2.7		 5jliA-3w3aA:
11.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JT4_A_ASCA202_0
(CYTOCHROME C')		 3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN
(Thermus
thermophilus) 		4 / 5 ALA A  16
GLY A  37
CYH A  28
LYS A  29
 None
 1.35A 5jt4A-3w3aA:
2.7		 5jt4A-3w3aA:
12.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N5D_B_SAMB303_1
(METHYLTRANSFERASE)		 3w3a V-TYPE ATP SYNTHASE
BETA CHAIN
(Thermus
thermophilus) 		4 / 7 GLU D 450
ARG D 453
ASP D 408
ASN D 388
 None
 1.11A 5n5dB-3w3aD:
undetectable		 5n5dB-3w3aD:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VC0_A_RITA602_2
(CYTOCHROME P450 3A4)		 3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN
V-TYPE ATP SYNTHASE
BETA CHAIN
(Thermus
thermophilus) 		4 / 7 ILE D  14
THR D  39
THR D 228
ARG A 191
 None
 0.96A 5vc0A-3w3aD:
undetectable		 5vc0A-3w3aD:
25.13
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN
(Thermus
thermophilus) 		4 / 6 PHE A 141
GLY A 278
THR A 277
LYS A 276
 None
 1.01A 5x24A-3w3aA:
undetectable		 5x24A-3w3aA:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZNI_A_YMZA302_0
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 3w3a V-TYPE ATP SYNTHASE
SUBUNIT F
(Thermus
thermophilus) 		5 / 9 GLY H  40
VAL H  37
GLU H  38
GLY H  41
PRO H  69
 None
 1.40A 5zniA-3w3aH:
undetectable		 5zniA-3w3aH:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AG0_A_ACRA608_0
(ALPHA-AMYLASE)		 3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN
(Thermus
thermophilus) 		4 / 6 GLY A 233
THR A 237
GLN A 239
TYR A 500
 ADP  A 600 (-2.4A)
ADP  A 600 ( 4.8A)
None
None
 1.28A 6ag0A-3w3aA:
undetectable		 6ag0A-3w3aA:
9.91
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.
6F6S_A_CXQA507_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1
ENVELOPE
GLYCOPROTEIN)		 3w3a V-TYPE ATP SYNTHASE
BETA CHAIN
(Thermus
thermophilus) 		4 / 5 ARG D 169
ALA D 165
TYR D 203
GLN D 166
 None
 1.22A 6f6sA-3w3aD:
undetectable
6f6sB-3w3aD:
undetectable		 6f6sA-3w3aD:
13.22
6f6sB-3w3aD:
11.16