SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3wq8'

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.
1BDW_B_DVAB8_0
(GRAMICIDIN A)		 3wq8 BETA-GLUCOSIDASE
(Pyrococcus
furiosus) 		3 / 3 VAL A 259
VAL A 261
TRP A 202
 None
 0.97A 1bdwA-3wq8A:
undetectable
1bdwB-3wq8A:
undetectable		 1bdwA-3wq8A:
7.34
1bdwB-3wq8A:
7.34
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.
1DBB_H_STRH229_1
(IGG1-KAPPA DB3 FAB
(HEAVY CHAIN)
IGG1-KAPPA DB3 FAB
(LIGHT CHAIN))		 3wq8 BETA-GLUCOSIDASE
(Pyrococcus
furiosus) 		4 / 8 GLY A  79
GLY A  78
TYR A 134
VAL A 259
 None
 0.85A 1dbbH-3wq8A:
undetectable
1dbbL-3wq8A:
undetectable		 1dbbH-3wq8A:
18.97
1dbbL-3wq8A:
19.47
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.
1MT1_G_AG2G7003_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		 3wq8 BETA-GLUCOSIDASE
(Pyrococcus
furiosus) 		4 / 6 LEU A 360
LEU A 299
GLY A 260
ILE A 262
 None
 0.86A 1mt1G-3wq8A:
undetectable
1mt1J-3wq8A:
undetectable		 1mt1G-3wq8A:
7.66
1mt1J-3wq8A:
14.22
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.
1MT1_K_AG2K7002_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN)		 3wq8 BETA-GLUCOSIDASE
(Pyrococcus
furiosus) 		4 / 7 ILE A 262
LEU A 360
LEU A 299
GLY A 260
 None
 0.86A 1mt1H-3wq8A:
undetectable
1mt1K-3wq8A:
undetectable		 1mt1H-3wq8A:
14.22
1mt1K-3wq8A:
7.66
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.
1N13_F_AG2F7016_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		 3wq8 BETA-GLUCOSIDASE
(Pyrococcus
furiosus) 		4 / 8 LEU A 360
LEU A 299
GLY A 260
ILE A 262
 None
 0.85A 1n13A-3wq8A:
undetectable
1n13F-3wq8A:
undetectable		 1n13A-3wq8A:
7.66
1n13F-3wq8A:
14.22
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.
2C12_F_SPMF1433_1
(NITROALKANE OXIDASE)		 3wq8 BETA-GLUCOSIDASE
(Pyrococcus
furiosus) 		5 / 11 MET A  73
LEU A 412
VAL A 446
LEU A 445
LEU A 428
 None
 1.32A 2c12F-3wq8A:
undetectable		 2c12F-3wq8A:
21.73
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.
2DRD_A_MIYA2001_1
(ACRB)		 3wq8 BETA-GLUCOSIDASE
(Pyrococcus
furiosus) 		5 / 9 PHE A 227
GLY A 215
ASN A 218
ILE A 217
ALA A 233
 None
 1.39A 2drdA-3wq8A:
undetectable		 2drdA-3wq8A:
19.75
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.
2QMZ_A_LDPA501_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE)		 3wq8 BETA-GLUCOSIDASE
(Pyrococcus
furiosus) 		4 / 7 GLU A  19
GLY A  79
PHE A 187
ILE A  85
 None
 0.93A 2qmzA-3wq8A:
undetectable
2qmzB-3wq8A:
undetectable		 2qmzA-3wq8A:
21.25
2qmzB-3wq8A:
21.25
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.
2QQC_K_AG2K671_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE (EC
4.1.1.19) (PVLARGDC))		 3wq8 BETA-GLUCOSIDASE
(Pyrococcus
furiosus) 		4 / 8 ILE A 262
LEU A 360
LEU A 299
GLY A 260
 None
 0.89A 2qqcH-3wq8A:
undetectable
2qqcK-3wq8A:
undetectable		 2qqcH-3wq8A:
14.44
2qqcK-3wq8A:
8.71
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.
2V3D_B_NBVB1504_1
(GLUCOSYLCERAMIDASE)		 3wq8 BETA-GLUCOSIDASE
(Pyrococcus
furiosus) 		5 / 11 ASN A 206
GLU A 207
TYR A 307
GLU A 372
TRP A 410
 None
 0.71A 2v3dB-3wq8A:
14.8		 2v3dB-3wq8A:
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.
3OXX_A_DR7A100_1
(HIV-1 PROTEASE)		 3wq8 BETA-GLUCOSIDASE
(Pyrococcus
furiosus) 		5 / 12 GLY A 297
VAL A 290
ILE A 302
GLY A 260
VAL A 259
 None
 0.96A 3oxxA-3wq8A:
undetectable		 3oxxA-3wq8A:
12.89
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_CQAA302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		 3wq8 BETA-GLUCOSIDASE
(Pyrococcus
furiosus) 		4 / 7 GLU A 372
TYR A  11
GLY A  78
ARG A  77
 None
 1.07A 4fgzA-3wq8A:
undetectable		 4fgzA-3wq8A:
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.
4MJW_A_ACTA603_0
(CHOLINE OXIDASE)		 3wq8 BETA-GLUCOSIDASE
(Pyrococcus
furiosus) 		3 / 3 ARG A 383
HIS A 409
SER A 443
 None
 0.66A 4mjwA-3wq8A:
undetectable
4mjwB-3wq8A:
undetectable		 4mjwA-3wq8A:
21.23
4mjwB-3wq8A:
21.23
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.
4MJW_B_ACTB603_0
(CHOLINE OXIDASE)		 3wq8 BETA-GLUCOSIDASE
(Pyrococcus
furiosus) 		3 / 3 SER A 443
ARG A 383
HIS A 409
 None
 0.63A 4mjwA-3wq8A:
undetectable
4mjwB-3wq8A:
undetectable		 4mjwA-3wq8A:
21.23
4mjwB-3wq8A:
21.23
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.
4RTS_A_SAMA301_0
(DNA ADENINE
METHYLASE)		 3wq8 BETA-GLUCOSIDASE
(Pyrococcus
furiosus) 		5 / 12 GLY A 374
GLY A 427
ASP A 414
TYR A 416
TYR A 307
 None
 1.21A 4rtsA-3wq8A:
undetectable		 4rtsA-3wq8A:
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.
4ZVC_A_BEZA301_0
(DIGUANYLATE CYCLASE
DOSC)		 3wq8 BETA-GLUCOSIDASE
(Pyrococcus
furiosus) 		4 / 8 ARG A 131
LEU A 127
ILE A  80
LEU A 146
 None
 0.74A 4zvcA-3wq8A:
undetectable
4zvcB-3wq8A:
undetectable		 4zvcA-3wq8A:
13.18
4zvcB-3wq8A:
13.18
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.
4ZVC_A_BEZA301_0
(DIGUANYLATE CYCLASE
DOSC)		 3wq8 BETA-GLUCOSIDASE
(Pyrococcus
furiosus) 		4 / 8 ILE A  80
LEU A 146
ARG A 131
LEU A 127
 None
 0.75A 4zvcA-3wq8A:
undetectable
4zvcB-3wq8A:
undetectable		 4zvcA-3wq8A:
13.18
4zvcB-3wq8A:
13.18
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.
5DV4_A_NMYA601_2
(CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT
6-LIKE)		 3wq8 BETA-GLUCOSIDASE
(Pyrococcus
furiosus) 		3 / 3 GLU A  81
TRP A  31
ASN A 206
 None
 1.03A 5dv4A-3wq8A:
undetectable		 5dv4A-3wq8A:
22.15
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.
5DV4_A_NMYA601_2
(CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT
6-LIKE)		 3wq8 BETA-GLUCOSIDASE
(Pyrococcus
furiosus) 		3 / 3 GLU A  81
TRP A  82
ASN A 147
 None
 0.96A 5dv4A-3wq8A:
undetectable		 5dv4A-3wq8A:
22.15
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.
5LAK_I_BEZI1_0
(3CL PROTEASE
BEZ-TYR-TYR-ASN-ECC
PEPTIDE INHIBITOR)		 3wq8 BETA-GLUCOSIDASE
(Pyrococcus
furiosus) 		3 / 3 SER A 308
TYR A 307
TYR A 306
 None
 0.75A 5lakA-3wq8A:
undetectable
5lakI-3wq8A:
undetectable		 5lakA-3wq8A:
19.57
5lakI-3wq8A:
1.86
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.
5LAK_J_BEZJ1_0
(3CL PROTEASE
BEZ-TYR-TYR-ASN-ECC
PEPTIDE INHIBITOR)		 3wq8 BETA-GLUCOSIDASE
(Pyrococcus
furiosus) 		3 / 3 SER A 308
TYR A 307
TYR A 306
 None
 0.67A 5lakC-3wq8A:
undetectable
5lakJ-3wq8A:
undetectable		 5lakC-3wq8A:
19.57
5lakJ-3wq8A:
1.86
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.
6DH6_A_017A104_0
(PROTEASE)		 3wq8 BETA-GLUCOSIDASE
(Pyrococcus
furiosus) 		5 / 12 GLY A 297
VAL A 290
ILE A 302
GLY A 260
VAL A 259
 None
 0.95A 6dh6A-3wq8A:
undetectable		 6dh6A-3wq8A:
10.54
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.
6DJZ_B_GMJB301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 3wq8 BETA-GLUCOSIDASE
(Pyrococcus
furiosus) 		4 / 6 TYR A 306
ASP A 269
VAL A 311
ALA A 393
 None
 0.99A 6djzB-3wq8A:
undetectable		 6djzB-3wq8A:
17.39
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.
6F3M_D_ADND502_2
(-)		 3wq8 BETA-GLUCOSIDASE
(Pyrococcus
furiosus) 		4 / 5 ILE A 262
THR A 371
THR A 204
LEU A 299
 None
 0.94A 6f3mD-3wq8A:
undetectable		 6f3mD-3wq8A:
22.83
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.
6GNR_A_6J3A201_0
(TRANSTHYRETIN)		 3wq8 BETA-GLUCOSIDASE
(Pyrococcus
furiosus) 		4 / 4 LYS A 315
LEU A 322
ALA A 314
LEU A 271
 None
 1.45A 6gnrA-3wq8A:
undetectable		 6gnrA-3wq8A:
14.22
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.
6GNR_B_6J3B201_0
(TRANSTHYRETIN)		 3wq8 BETA-GLUCOSIDASE
(Pyrococcus
furiosus) 		4 / 4 LYS A 315
LEU A 322
ALA A 314
LEU A 271
 None
 1.43A 6gnrB-3wq8A:
undetectable		 6gnrB-3wq8A:
14.22