SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2jls'

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.
2AZX_A_TRPA601_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 2jls SERINE PROTEASE
SUBUNIT NS3
(Dengue
virus) 		5 / 12 GLY A 420
GLY A 356
THR A 358
ILE A 332
GLN A 471
 None
 1.24A 2azxA-2jlsA:
undetectable		 2azxA-2jlsA:
23.70
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.
2AZX_B_TRPB603_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 2jls SERINE PROTEASE
SUBUNIT NS3
(Dengue
virus) 		5 / 12 GLY A 420
GLY A 356
THR A 358
ILE A 332
GLN A 471
 None
 1.24A 2azxB-2jlsA:
undetectable		 2azxB-2jlsA:
23.70
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.
2DR2_A_TRPA479_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 2jls SERINE PROTEASE
SUBUNIT NS3
(Dengue
virus) 		5 / 11 GLY A 420
GLY A 356
THR A 358
ILE A 332
GLN A 471
 None
 1.23A 2dr2A-2jlsA:
undetectable		 2dr2A-2jlsA:
24.31
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.
2XZ5_A_ACHA1211_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 2jls SERINE PROTEASE
SUBUNIT NS3
(Dengue
virus) 		4 / 7 TRP A 402
TYR A 394
ILE A 383
SER A 411
 None
 0.90A 2xz5A-2jlsA:
undetectable
2xz5B-2jlsA:
undetectable		 2xz5A-2jlsA:
19.69
2xz5B-2jlsA:
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.
2XZ5_C_ACHC1211_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 2jls SERINE PROTEASE
SUBUNIT NS3
(Dengue
virus) 		4 / 8 THR A 407
SER A 411
TRP A 402
TYR A 394
 None
 0.99A 2xz5A-2jlsA:
undetectable
2xz5C-2jlsA:
undetectable		 2xz5A-2jlsA:
19.69
2xz5C-2jlsA:
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.
2XZ5_E_ACHE1211_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 2jls SERINE PROTEASE
SUBUNIT NS3
(Dengue
virus) 		4 / 7 ILE A 383
SER A 411
TRP A 402
TYR A 394
 None
 0.90A 2xz5D-2jlsA:
undetectable
2xz5E-2jlsA:
undetectable		 2xz5D-2jlsA:
19.69
2xz5E-2jlsA:
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.
2YS6_A_GLYA431_0
(PHOSPHORIBOSYLGLYCIN
AMIDE SYNTHETASE)		 2jls SERINE PROTEASE
SUBUNIT NS3
(Dengue
virus) 		4 / 8 LYS A 199
ARG A 460
GLY A 414
GLU A 285
 ADP  A1620 (-2.7A)
None
None
MN  A1619 (-2.9A)
 1.05A 2ys6A-2jlsA:
undetectable		 2ys6A-2jlsA:
22.66
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.
2ZXW_W_CHDW1060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jls SERINE PROTEASE
SUBUNIT NS3
(Dengue
virus) 		4 / 7 ILE A 220
ARG A 297
MET A 314
THR A 315
 None
 1.13A 2zxwN-2jlsA:
undetectable
2zxwW-2jlsA:
undetectable		 2zxwN-2jlsA:
21.54
2zxwW-2jlsA:
8.26
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.
3ABK_W_CHDW1059_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jls SERINE PROTEASE
SUBUNIT NS3
(Dengue
virus) 		4 / 5 ILE A 220
ARG A 297
MET A 314
THR A 315
 None
 1.10A 3abkN-2jlsA:
undetectable
3abkW-2jlsA:
undetectable		 3abkN-2jlsA:
21.54
3abkW-2jlsA:
8.26
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.
3ABL_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		 2jls SERINE PROTEASE
SUBUNIT NS3
(Dengue
virus) 		4 / 7 ILE A 220
ARG A 297
MET A 314
THR A 315
 None
 0.99A 3ablA-2jlsA:
undetectable
3ablJ-2jlsA:
undetectable		 3ablA-2jlsA:
21.54
3ablJ-2jlsA:
8.26
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.
3ZNC_A_BZ1A500_1
(CARBONIC ANHYDRASE
IV)		 2jls SERINE PROTEASE
SUBUNIT NS3
(Dengue
virus) 		5 / 10 VAL A 544
PHE A 533
LEU A 270
THR A 267
THR A 266
 None
None
None
BME  A1621 (-3.6A)
BME  A1621 (-4.1A)
 1.25A 3zncA-2jlsA:
undetectable		 3zncA-2jlsA:
19.09
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.
4CP4_A_CAMA416_0
(CYTOCHROME P450-CAM)		 2jls SERINE PROTEASE
SUBUNIT NS3
(Dengue
virus) 		4 / 7 THR A 407
VAL A 422
ASP A 424
VAL A 359
 None
 0.90A 4cp4A-2jlsA:
undetectable		 4cp4A-2jlsA:
22.36
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.
4KCN_A_MTLA804_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2jls SERINE PROTEASE
SUBUNIT NS3
(Dengue
virus) 		4 / 6 ARG A 217
ARG A 241
ASP A 258
ASP A 250
 None
 1.22A 4kcnA-2jlsA:
undetectable		 4kcnA-2jlsA:
20.69
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.
4KCN_B_MTLB805_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2jls SERINE PROTEASE
SUBUNIT NS3
(Dengue
virus) 		4 / 6 ARG A 217
ARG A 241
ASP A 258
ASP A 250
 None
 1.24A 4kcnB-2jlsA:
undetectable		 4kcnB-2jlsA:
20.69
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.
4ODO_A_FK5A205_2
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD)		 2jls SERINE PROTEASE
SUBUNIT NS3
(Dengue
virus) 		4 / 4 THR A 450
ARG A 457
GLU A 412
VAL A 449
 GOL  A1624 ( 4.4A)
None
None
None
 1.08A 4odoC-2jlsA:
0.0		 4odoC-2jlsA:
17.19
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.
4ZJO_D_ERYD1101_0
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		 2jls SERINE PROTEASE
SUBUNIT NS3
(Dengue
virus) 		5 / 11 SER A 453
THR A 450
ALA A 491
GLU A 514
THR A 317
 None
GOL  A1624 ( 4.4A)
None
None
None
 1.50A 4zjoD-2jlsA:
undetectable		 4zjoD-2jlsA:
17.16
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.
5EF8_A_LBHA2004_1
(HDAC6 PROTEIN)		 2jls SERINE PROTEASE
SUBUNIT NS3
(Dengue
virus) 		5 / 12 ASP A 284
SER A 293
HIS A 485
HIS A 487
ASP A 409
 MN  A1619 ( 3.8A)
None
None
None
None
 1.19A 5ef8A-2jlsA:
undetectable		 5ef8A-2jlsA:
21.20
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.
5HQA_A_ACRA705_2
(ALPHA-GLUCOSIDASE)		 2jls SERINE PROTEASE
SUBUNIT NS3
(Dengue
virus) 		4 / 8 TRP A 344
TRP A 350
GLU A 338
THR A 407
 None
 1.36A 5hqaA-2jlsA:
undetectable		 5hqaA-2jlsA:
19.73
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.
5J6H_A_NCAA402_0
(H-2 CLASS I
HISTOCOMPATIBILITY
ANTIGEN, Q10 ALPHA
CHAIN)		 2jls SERINE PROTEASE
SUBUNIT NS3
(Dengue
virus) 		3 / 3 PRO A 511
ARG A 513
GLU A 512
 None
 0.91A 5j6hA-2jlsA:
undetectable		 5j6hA-2jlsA:
19.91
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.
5KR1_B_017B101_1
(PROTEASE PR5-DRV)		 2jls SERINE PROTEASE
SUBUNIT NS3
(Dengue
virus) 		5 / 10 LEU A 204
ASP A 179
ILE A 281
VAL A 208
ILE A 207
 None
 1.04A 5kr1A-2jlsA:
undetectable		 5kr1A-2jlsA:
14.15
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.
5XDX_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT VIIA-HEART)		 2jls SERINE PROTEASE
SUBUNIT NS3
(Dengue
virus) 		4 / 7 ILE A 220
ARG A 297
MET A 314
THR A 315
 None
 0.96A 5xdxA-2jlsA:
undetectable
5xdxJ-2jlsA:
undetectable		 5xdxA-2jlsA:
21.54
5xdxJ-2jlsA:
8.26