SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4wk0'

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.
1FDW_A_ESTA350_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE)		 4wk0 INTEGRIN BETA-1
(Homo
sapiens) 		5 / 10 VAL B 436
LEU B 101
SER B 412
VAL B 373
PHE B 423
 None
 1.39A 1fdwA-4wk0B:
2.9		 1fdwA-4wk0B:
21.29
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.
1KW0_A_H4BA429_1
(PHENYLALANINE-4-HYDR
OXYLASE)		 4wk0 INTEGRIN BETA-1
(Homo
sapiens) 		5 / 12 VAL B 238
LEU B 306
LEU B 254
PHE B 256
TYR B 325
 None
 1.17A 1kw0A-4wk0B:
undetectable		 1kw0A-4wk0B:
22.02
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.
2IZQ_A_DVAA8_0
(GRAMICIDIN D)		 4wk0 INTEGRIN BETA-1
(Homo
sapiens) 		3 / 3 VAL B 240
TRP B 247
VAL B 238
 None
 0.94A 2izqA-4wk0B:
undetectable
2izqB-4wk0B:
undetectable		 2izqA-4wk0B:
3.23
2izqB-4wk0B:
3.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QMZ_A_LDPA501_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE)		 4wk0 INTEGRIN BETA-1
(Homo
sapiens) 		4 / 7 GLY B 230
PHE B 256
ILE B 235
PHE B 315
 None
 1.04A 2qmzA-4wk0B:
2.6
2qmzB-4wk0B:
2.4		 2qmzA-4wk0B:
19.37
2qmzB-4wk0B:
19.37
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.
2VDB_A_NPSA1591_1
(SERUM ALBUMIN)		 4wk0 INTEGRIN BETA-1
(Homo
sapiens) 		4 / 8 ILE B 425
LEU B 113
PHE B 406
TYR B 377
 None
 0.89A 2vdbA-4wk0B:
undetectable		 2vdbA-4wk0B:
20.38
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.
2VDM_B_AGGB1462_1
(INTEGRIN ALPHA-IIB
INTEGRIN BETA-3)		 4wk0 INTEGRIN BETA-1
(Homo
sapiens) 		5 / 12 PHE B 164
TYR B 127
LEU B 254
SER B 134
SER B 132
 None
None
None
MG  B 501 (-3.8A)
MG  B 501 (-2.1A)
 1.33A 2vdmA-4wk0B:
undetectable
2vdmB-4wk0B:
34.2		 2vdmA-4wk0B:
20.96
2vdmB-4wk0B:
42.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VDM_B_AGGB1462_1
(INTEGRIN ALPHA-IIB
INTEGRIN BETA-3)		 4wk0 INTEGRIN BETA-1
(Homo
sapiens) 		5 / 12 SER B 132
TYR B 133
SER B 134
ASN B 224
GLU B 229
 MG  B 501 (-2.1A)
None
MG  B 501 (-3.8A)
CA  B 503 (-2.8A)
MG  B 501 ( 3.1A)
 0.77A 2vdmA-4wk0B:
undetectable
2vdmB-4wk0B:
34.2		 2vdmA-4wk0B:
20.96
2vdmB-4wk0B:
42.65
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4wk0 INTEGRIN BETA-1
(Homo
sapiens) 		4 / 8 ILE B 375
PHE B 111
LEU B 438
LEU B 101
 None
 0.63A 2w98B-4wk0B:
undetectable		 2w98B-4wk0B:
23.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ELZ_B_CHDB153_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 4wk0 INTEGRIN BETA-1
(Homo
sapiens) 		4 / 6 ILE B 400
THR B 251
PHE B 430
PHE B 115
 None
 1.28A 3elzB-4wk0B:
undetectable		 3elzB-4wk0B:
17.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U5K_D_08JD4_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		 4wk0 INTEGRIN BETA-1
(Homo
sapiens) 		4 / 8 VAL B 436
LEU B 101
LEU B 438
ILE B 375
 None
 0.88A 3u5kD-4wk0B:
undetectable		 3u5kD-4wk0B:
13.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A9J_B_TYLB1187_1
(BROMODOMAIN
CONTAINING 2)		 4wk0 INTEGRIN BETA-1
(Homo
sapiens) 		4 / 5 VAL B 436
LEU B 101
LEU B 438
ILE B 375
 None
 0.95A 4a9jB-4wk0B:
undetectable		 4a9jB-4wk0B:
15.01
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.
4QOG_B_ML1B302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 4wk0 INTEGRIN BETA-1
(Homo
sapiens) 		4 / 6 GLY B 230
PHE B 256
ILE B 235
PHE B 315
 None
 0.74A 4qogA-4wk0B:
4.2
4qogB-4wk0B:
4.0		 4qogA-4wk0B:
18.98
4qogB-4wk0B:
18.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IMS_B_ACTB713_0
(ACETOLACTATE
SYNTHASE CATALYTIC
SUBUNIT,
MITOCHONDRIAL)		 4wk0 INTEGRIN BETA-1
(Homo
sapiens) 		3 / 3 GLY B 279
GLN B 237
LYS B 305
 None
 0.85A 5imsB-4wk0B:
3.9		 5imsB-4wk0B:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_A_C2FA3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 4wk0 INTEGRIN BETA-1
(Homo
sapiens) 		5 / 12 GLU B 229
GLY B 230
LEU B 183
GLY B 223
SER B 132
 MG  B 501 ( 3.1A)
None
None
None
MG  B 501 (-2.1A)
 1.14A 5vooA-4wk0B:
2.3		 5vooA-4wk0B:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_B_C2FB702_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 4wk0 INTEGRIN BETA-1
(Homo
sapiens) 		5 / 12 GLU B 229
GLY B 230
LEU B 183
GLY B 223
SER B 132
 MG  B 501 ( 3.1A)
None
None
None
MG  B 501 (-2.1A)
 1.17A 5vooB-4wk0B:
undetectable		 5vooB-4wk0B:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_C_C2FC702_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 4wk0 INTEGRIN BETA-1
(Homo
sapiens) 		5 / 12 GLU B 229
GLY B 230
LEU B 183
GLY B 223
SER B 132
 MG  B 501 ( 3.1A)
None
None
None
MG  B 501 (-2.1A)
 1.15A 5vooC-4wk0B:
undetectable		 5vooC-4wk0B:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_D_C2FD3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 4wk0 INTEGRIN BETA-1
(Homo
sapiens) 		5 / 12 GLU B 229
GLY B 230
LEU B 183
GLY B 223
SER B 132
 MG  B 501 ( 3.1A)
None
None
None
MG  B 501 (-2.1A)
 1.18A 5vooD-4wk0B:
3.1		 5vooD-4wk0B:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C2M_A_SUEA1202_0
(NS3 PROTEASE)		 4wk0 INTEGRIN BETA-1
(Homo
sapiens) 		5 / 12 ILE B 363
LEU B 364
GLY B 392
SER B 379
PHE B 406
 None
 1.10A 6c2mA-4wk0B:
undetectable		 6c2mA-4wk0B:
10.72
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.
6FBN_B_SAMB401_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 4wk0 INTEGRIN BETA-1
(Homo
sapiens) 		4 / 8 ASP B 295
SER B 291
SER B 198
ASP B 267
 None
 1.19A 6fbnB-4wk0B:
undetectable		 6fbnB-4wk0B:
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.
6FCB_A_SAMA405_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 4wk0 INTEGRIN BETA-1
(Homo
sapiens) 		4 / 8 ASP B 295
SER B 291
SER B 198
ASP B 267
 None
 1.15A 6fcbA-4wk0B:
undetectable		 6fcbA-4wk0B:
21.60