SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4wcx'

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.
1J96_A_TESA903_1
(3ALPHA-HYDROXYSTEROI
D DEHYDROGENASE TYPE
3)		 4wcx BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED
(Thermoanaerobact
er
italicus) 		4 / 6 TYR A 237
VAL A 322
ILE A 325
LEU A  51
 None
 1.16A 1j96A-4wcxA:
5.5		 1j96A-4wcxA:
22.29
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.
2BXD_B_RWFB2001_1
(SERUM ALBUMIN)		 4wcx BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED
(Thermoanaerobact
er
italicus) 		5 / 10 PHE A   8
LEU A 256
HIS A 252
ILE A 228
ALA A 223
 None
 1.37A 2bxdB-4wcxA:
0.0		 2bxdB-4wcxA:
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.
2HA2_B_SCKB951_1
(ACETYLCHOLINESTERASE)		 4wcx BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED
(Thermoanaerobact
er
italicus) 		4 / 8 ASP A  11
TYR A 213
TYR A 240
TYR A 244
 None
 1.38A 2ha2B-4wcxA:
undetectable		 2ha2B-4wcxA:
21.69
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.
2VDB_A_NPSA1591_1
(SERUM ALBUMIN)		 4wcx BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED
(Thermoanaerobact
er
italicus) 		4 / 8 ILE A  80
PHE A 417
LEU A 367
GLY A 126
 None
 0.94A 2vdbA-4wcxA:
undetectable		 2vdbA-4wcxA:
21.38
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.
2W98_B_P1ZB1356_1
(PROSTAGLANDIN
REDUCTASE 2)		 4wcx BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED
(Thermoanaerobact
er
italicus) 		4 / 8 ILE A 441
PHE A 466
LEU A 454
LEU A 412
 None
 0.91A 2w98B-4wcxA:
undetectable		 2w98B-4wcxA:
20.20
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.
3ZMD_A_SALA201_1
(PUTATIVE
TRANSCRIPTIONAL
REGULATOR)		 4wcx BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED
(Thermoanaerobact
er
italicus) 		4 / 8 LEU A 191
TYR A 196
GLU A 194
HIS A 252
 None
None
SF4  A 501 ( 4.9A)
None
 1.29A 3zmdA-4wcxA:
undetectable
3zmdB-4wcxA:
undetectable		 3zmdA-4wcxA:
16.25
3zmdB-4wcxA:
16.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JSE_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 4wcx BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED
(Thermoanaerobact
er
italicus) 		4 / 7 PHE A 292
GLU A 245
ARG A 313
VAL A 287
 None
 1.46A 4jseA-4wcxA:
0.7
4jseB-4wcxA:
undetectable		 4jseA-4wcxA:
19.77
4jseB-4wcxA:
19.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NKX_A_STRA601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4wcx BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED
(Thermoanaerobact
er
italicus) 		4 / 6 LEU A 310
ARG A 273
VAL A 298
ALA A 297
 None
 0.96A 4nkxA-4wcxA:
undetectable		 4nkxA-4wcxA:
21.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RTB_A_SAMA501_0
(HYDG PROTEIN)		 4wcx BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED
(Thermoanaerobact
er
italicus) 		9 / 12 TYR A  96
CYH A  97
ASN A 169
LEU A 191
PHE A 192
LYS A 210
LEU A 236
LEU A 272
ALA A 275
 None
SF4  A 501 (-2.1A)
MET  A 503 (-3.2A)
None
None
SF4  A 501 (-3.3A)
None
None
None
 0.66A 4rtbA-4wcxA:
47.7		 4rtbA-4wcxA:
43.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4WCX_C_SAMC503_0
(BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED)		 4wcx BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED
(Thermoanaerobact
er
italicus) 		11 / 12 TYR A  96
TYR A  99
GLU A 133
GLY A 135
GLU A 136
PHE A 192
LEU A 236
PRO A 270
LEU A 272
ARG A 273
ALA A 275
 None
MET  A 503 (-3.4A)
MET  A 503 (-3.2A)
MET  A 503 ( 3.6A)
None
None
None
None
None
None
None
 0.75A 4wcxC-4wcxA:
61.5		 4wcxC-4wcxA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4WCX_C_SAMC503_1
(BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED)		 4wcx BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED
(Thermoanaerobact
er
italicus) 		5 / 6 CYH A  97
ASN A 169
LEU A 191
GLU A 194
LYS A 210
 SF4  A 501 (-2.1A)
MET  A 503 (-3.2A)
None
SF4  A 501 ( 4.9A)
SF4  A 501 (-3.3A)
 0.26A 4wcxC-4wcxA:
61.1		 4wcxC-4wcxA:
100.00
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.
5CVT_B_ACTB200_0
(N5-CARBOXYAMINOIMIDA
ZOLE RIBONUCLEOTIDE
MUTASE)		 4wcx BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED
(Thermoanaerobact
er
italicus) 		3 / 3 ASN A 409
ALA A 382
ARG A 388
 SF4  A 502 (-4.6A)
SF4  A 502 ( 4.1A)
SF4  A 502 ( 4.7A)
 0.57A 5cvtB-4wcxA:
2.3		 5cvtB-4wcxA:
17.43
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4wcx BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED
(Thermoanaerobact
er
italicus) 		5 / 12 GLY A 232
ILE A 309
GLY A 307
ILE A 267
GLY A 390
 None
None
ALA  A 505 (-3.2A)
None
None
 1.02A 5d4uC-4wcxA:
undetectable		 5d4uC-4wcxA:
24.38
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.
5D4U_C_SAMC301_0
(UNCHARACTERIZED
PROTEIN MJ0489)		 4wcx BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED
(Thermoanaerobact
er
italicus) 		5 / 12 GLY A 307
TYR A 305
GLY A 326
ILE A 327
GLY A  41
 ALA  A 505 (-3.2A)
None
None
None
None
 1.02A 5d4uC-4wcxA:
undetectable		 5d4uC-4wcxA:
24.38
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.
5D4U_D_SAMD301_0
(UNCHARACTERIZED
PROTEIN MJ0489)		 4wcx BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED
(Thermoanaerobact
er
italicus) 		5 / 12 GLY A 307
TYR A 305
GLY A 326
ILE A 327
GLY A  41
 ALA  A 505 (-3.2A)
None
None
None
None
 1.01A 5d4uD-4wcxA:
undetectable		 5d4uD-4wcxA:
24.38
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.
5KC4_E_RBFE201_2
(RIBOFLAVIN
TRANSPORTER RIBU)		 4wcx BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED
(Thermoanaerobact
er
italicus) 		3 / 3 LYS A 293
ASP A 289
ILE A 299
 None
 0.91A 5kc4E-4wcxA:
undetectable		 5kc4E-4wcxA:
17.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OEX_A_CUA602_0
(THIOCYANATE
DEHYDROGENASE)		 4wcx BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED
(Thermoanaerobact
er
italicus) 		3 / 3 LYS A 210
HIS A 205
HIS A 216
 SF4  A 501 (-3.3A)
None
None
 0.94A 5oexA-4wcxA:
undetectable		 5oexA-4wcxA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OEX_B_CUB602_0
(THIOCYANATE
DEHYDROGENASE)		 4wcx BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED
(Thermoanaerobact
er
italicus) 		3 / 3 LYS A 210
HIS A 205
HIS A 216
 SF4  A 501 (-3.3A)
None
None
 0.98A 5oexB-4wcxA:
undetectable		 5oexB-4wcxA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OEX_C_CUC603_0
(THIOCYANATE
DEHYDROGENASE)		 4wcx BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED
(Thermoanaerobact
er
italicus) 		3 / 3 LYS A 210
HIS A 205
HIS A 216
 SF4  A 501 (-3.3A)
None
None
 0.97A 5oexC-4wcxA:
undetectable		 5oexC-4wcxA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OEX_D_CUD603_0
(THIOCYANATE
DEHYDROGENASE)		 4wcx BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED
(Thermoanaerobact
er
italicus) 		3 / 3 LYS A 210
HIS A 205
HIS A 216
 SF4  A 501 (-3.3A)
None
None
 0.96A 5oexD-4wcxA:
undetectable		 5oexD-4wcxA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V1T_A_SAMA605_0
(RADICAL SAM)		 4wcx BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED
(Thermoanaerobact
er
italicus) 		5 / 12 PHE A  63
VAL A 287
VAL A 296
SER A 324
GLU A 314
 None
 1.46A 5v1tA-4wcxA:
13.0		 5v1tA-4wcxA:
25.87
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.
5VEU_B_RITB602_1
(CYTOCHROME P450 3A5)		 4wcx BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED
(Thermoanaerobact
er
italicus) 		5 / 12 SER A 331
PHE A 355
ALA A 131
ILE A 121
GLY A 339
 None
 1.01A 5veuB-4wcxA:
undetectable		 5veuB-4wcxA:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VEU_B_RITB602_1
(CYTOCHROME P450 3A5)		 4wcx BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED
(Thermoanaerobact
er
italicus) 		5 / 12 SER A 331
PHE A 355
ALA A 131
ILE A 121
GLY A 340
 None
 0.90A 5veuB-4wcxA:
undetectable		 5veuB-4wcxA:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VKQ_A_PCFA1801_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 4wcx BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED
(Thermoanaerobact
er
italicus) 		4 / 6 ILE A 366
ILE A 434
LEU A 418
PHE A 417
 None
 1.06A 5vkqA-4wcxA:
undetectable
5vkqB-4wcxA:
undetectable		 5vkqA-4wcxA:
13.86
5vkqB-4wcxA:
13.86
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.
5VKQ_D_PCFD1807_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 4wcx BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED
(Thermoanaerobact
er
italicus) 		4 / 6 ILE A 366
ILE A 434
LEU A 418
PHE A 417
 None
 1.05A 5vkqA-4wcxA:
undetectable
5vkqD-4wcxA:
undetectable		 5vkqA-4wcxA:
13.86
5vkqD-4wcxA:
13.86
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.
5Y9Y_A_ACTA412_0
(UNCHARACTERIZED
PROTEIN KDOO)		 4wcx BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED
(Thermoanaerobact
er
italicus) 		3 / 3 ARG A 273
PHE A 318
ARG A 271
 None
 1.13A 5y9yA-4wcxA:
undetectable		 5y9yA-4wcxA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NMP_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4wcx BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED
(Thermoanaerobact
er
italicus) 		4 / 5 ILE A 121
LEU A 122
THR A 111
LEU A 110
 None
 0.85A 6nmpN-4wcxA:
undetectable
6nmpW-4wcxA:
undetectable		 6nmpN-4wcxA:
20.57
6nmpW-4wcxA:
9.50