SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2whx'

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.
1E06_B_IPBB600_0
(ODORANT-BINDING
PROTEIN)		 2whx SERINE
PROTEASE/NTPASE/HELI
CASE NS3
(Dengue
virus) 		4 / 4 ILE A  25
MET A  49
VAL A 146
GLY A  37
 None
 1.31A 1e06B-2whxA:
undetectable		 1e06B-2whxA:
13.32
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.
1PK7_B_ADNB1246_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 2whx SERINE
PROTEASE/NTPASE/HELI
CASE NS3
(Dengue
virus) 		4 / 8 GLY A 462
GLU A 468
SER A 328
ILE A 461
 None
 0.80A 1pk7B-2whxA:
undetectable		 1pk7B-2whxA:
18.52
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.
1PKV_A_RBFA100_1
(RIBOFLAVIN SYNTHASE
ALPHA CHAIN)		 2whx SERINE
PROTEASE/NTPASE/HELI
CASE NS3
(Dengue
virus) 		5 / 11 LEU A 204
THR A 200
MET A 283
THR A 218
VAL A 257
 None
MN  A1620 ( 3.3A)
None
None
None
 1.18A 1pkvA-2whxA:
undetectable
1pkvB-2whxA:
undetectable		 1pkvA-2whxA:
10.79
1pkvB-2whxA:
10.79
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)		 2whx SERINE
PROTEASE/NTPASE/HELI
CASE NS3
(Dengue
virus) 		5 / 12 GLY A 420
GLY A 356
THR A 358
ILE A 332
GLN A 471
 None
 1.20A 2azxA-2whxA:
undetectable		 2azxA-2whxA:
22.73
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.
2AZX_B_TRPB603_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 2whx SERINE
PROTEASE/NTPASE/HELI
CASE NS3
(Dengue
virus) 		5 / 12 GLY A 420
GLY A 356
THR A 358
ILE A 332
GLN A 471
 None
 1.21A 2azxB-2whxA:
undetectable		 2azxB-2whxA:
22.73
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.
2DR2_A_TRPA479_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 2whx SERINE
PROTEASE/NTPASE/HELI
CASE NS3
(Dengue
virus) 		5 / 11 GLY A 420
GLY A 356
THR A 358
ILE A 332
GLN A 471
 None
 1.19A 2dr2A-2whxA:
undetectable		 2dr2A-2whxA:
20.54
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.
2XZ5_A_ACHA1211_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 2whx SERINE
PROTEASE/NTPASE/HELI
CASE NS3
(Dengue
virus) 		4 / 7 TRP A 402
TYR A 394
ILE A 383
SER A 411
 None
 0.93A 2xz5A-2whxA:
undetectable
2xz5B-2whxA:
undetectable		 2xz5A-2whxA:
16.83
2xz5B-2whxA:
16.83
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.
2XZ5_E_ACHE1211_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 2whx SERINE
PROTEASE/NTPASE/HELI
CASE NS3
(Dengue
virus) 		4 / 7 ILE A 383
SER A 411
TRP A 402
TYR A 394
 None
 0.93A 2xz5D-2whxA:
undetectable
2xz5E-2whxA:
undetectable		 2xz5D-2whxA:
16.83
2xz5E-2whxA:
16.83
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.
2YGQ_A_PCFA1275_0
(WNT INHIBITORY
FACTOR 1)		 2whx SERINE
PROTEASE/NTPASE/HELI
CASE NS3
(Dengue
virus) 		5 / 12 LEU A  65
ILE A  58
PRO A 102
ILE A 100
PHE A  46
 None
 1.07A 2ygqA-2whxA:
undetectable		 2ygqA-2whxA:
18.15
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.
2YS6_A_GLYA431_0
(PHOSPHORIBOSYLGLYCIN
AMIDE SYNTHETASE)		 2whx SERINE
PROTEASE/NTPASE/HELI
CASE NS3
(Dengue
virus) 		4 / 8 LYS A 199
ARG A 460
GLY A 414
GLU A 285
 ADP  A1619 ( 2.8A)
None
MN  A1620 ( 4.9A)
MN  A1620 (-2.5A)
 0.93A 2ys6A-2whxA:
undetectable		 2ys6A-2whxA:
22.33
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.
2ZXW_W_CHDW1060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		 2whx SERINE
PROTEASE/NTPASE/HELI
CASE NS3
(Dengue
virus) 		4 / 7 ILE A 220
ARG A 297
MET A 314
THR A 315
 None
 1.13A 2zxwN-2whxA:
undetectable
2zxwW-2whxA:
undetectable		 2zxwN-2whxA:
21.69
2zxwW-2whxA:
6.47
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.
3ABK_W_CHDW1059_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		 2whx SERINE
PROTEASE/NTPASE/HELI
CASE NS3
(Dengue
virus) 		4 / 5 ILE A 220
ARG A 297
MET A 314
THR A 315
 None
 1.09A 3abkN-2whxA:
undetectable
3abkW-2whxA:
undetectable		 3abkN-2whxA:
21.69
3abkW-2whxA:
6.47
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.
3HLW_B_CE3B302_2
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 2whx SERINE
PROTEASE/NTPASE/HELI
CASE NS3
(Dengue
virus) 		3 / 3 CYH A 428
PRO A 478
ASP A 482
 None
 0.92A 3hlwB-2whxA:
undetectable		 3hlwB-2whxA:
17.83
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.
3SI7_B_ACTB4_0
(CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR)		 2whx SERINE
PROTEASE/NTPASE/HELI
CASE NS3
(Dengue
virus) 		3 / 3 GLY A 196
GLY A 198
THR A 200
 ADP  A1619 (-3.3A)
ADP  A1619 (-3.0A)
MN  A1620 ( 3.3A)
 0.43A 3si7B-2whxA:
5.3		 3si7B-2whxA:
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.
3SUE_C_SUEC1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 2whx SERINE
PROTEASE/NTPASE/HELI
CASE NS3
(Dengue
virus) 		5 / 12 HIS A  51
VAL A  72
ASP A  75
GLY A 133
SER A 135
 None
 0.88A 3sueC-2whxA:
11.2		 3sueC-2whxA:
15.45
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.
3SUF_D_SUED1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 2whx SERINE
PROTEASE/NTPASE/HELI
CASE NS3
(Dengue
virus) 		5 / 12 HIS A  51
VAL A  72
ASP A  75
GLY A 133
SER A 135
 None
 0.72A 3sufD-2whxA:
11.6		 3sufD-2whxA:
15.75
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.
3W1W_A_CHDA1503_0
(FERROCHELATASE,
MITOCHONDRIAL)		 2whx SERINE
PROTEASE/NTPASE/HELI
CASE NS3
(Dengue
virus) 		5 / 8 ILE A  40
LEU A 149
VAL A  52
GLY A  37
MET A  26
 None
 1.44A 3w1wA-2whxA:
3.6		 3w1wA-2whxA:
20.59
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)		 2whx SERINE
PROTEASE/NTPASE/HELI
CASE NS3
(Dengue
virus) 		5 / 10 VAL A 544
PHE A 533
LEU A 270
THR A 267
THR A 266
 None
 1.18A 3zncA-2whxA:
undetectable		 3zncA-2whxA:
16.69
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.
4CP4_A_CAMA416_0
(CYTOCHROME P450-CAM)		 2whx SERINE
PROTEASE/NTPASE/HELI
CASE NS3
(Dengue
virus) 		4 / 7 THR A 407
VAL A 422
ASP A 424
VAL A 359
 None
 0.94A 4cp4A-2whxA:
undetectable		 4cp4A-2whxA:
21.82
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.
4ODO_A_FK5A205_2
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD)		 2whx SERINE
PROTEASE/NTPASE/HELI
CASE NS3
(Dengue
virus) 		4 / 4 THR A 450
ARG A 457
GLU A 412
VAL A 449
 None
 1.09A 4odoC-2whxA:
undetectable		 4odoC-2whxA:
14.67
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.
4PM5_A_CE3A301_2
(BETA-LACTAMASE
CTX-M-14)		 2whx SERINE
PROTEASE/NTPASE/HELI
CASE NS3
(Dengue
virus) 		3 / 3 CYH A 428
PRO A 478
ASP A 482
 None
 0.94A 4pm5A-2whxA:
undetectable		 4pm5A-2whxA:
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.
4QRC_A_0LIA802_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 2whx SERINE
PROTEASE/NTPASE/HELI
CASE NS3
(Dengue
virus) 		4 / 8 LEU A 128
VAL A 126
ALA A  99
HIS A  51
 None
 0.86A 4qrcA-2whxA:
undetectable		 4qrcA-2whxA:
21.86
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.
5EWU_A_BEZA1401_0
(MAGNESIUM-CHELATASE
SUBUNIT CHLH,
CHLOROPLASTIC)		 2whx SERINE
PROTEASE/NTPASE/HELI
CASE NS3
(Dengue
virus) 		4 / 6 TRP A  69
GLY A  81
SER A  78
VAL A  45
 None
 1.08A 5ewuA-2whxA:
undetectable		 5ewuA-2whxA:
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.
5EWU_B_BEZB1401_0
(MAGNESIUM-CHELATASE
SUBUNIT CHLH,
CHLOROPLASTIC)		 2whx SERINE
PROTEASE/NTPASE/HELI
CASE NS3
(Dengue
virus) 		4 / 6 TRP A  69
GLY A  81
SER A  78
VAL A  45
 None
 1.13A 5ewuB-2whxA:
undetectable		 5ewuB-2whxA:
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.
5HQA_A_ACRA705_2
(ALPHA-GLUCOSIDASE)		 2whx SERINE
PROTEASE/NTPASE/HELI
CASE NS3
(Dengue
virus) 		4 / 8 TRP A 344
TRP A 350
GLU A 338
THR A 407
 None
 1.28A 5hqaA-2whxA:
undetectable		 5hqaA-2whxA:
21.58
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.
5M78_A_SALA304_1
(CARBONIC ANHYDRASE 2)		 2whx SERINE
PROTEASE/NTPASE/HELI
CASE NS3
(Dengue
virus) 		4 / 7 VAL A 544
LEU A 270
THR A 267
THR A 266
 None
 0.92A 5m78A-2whxA:
undetectable		 5m78A-2whxA:
9.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5YOD_H_BEZH201_0
(NS3 PROTEASE)		 2whx SERINE
PROTEASE/NTPASE/HELI
CASE NS3
(Dengue
virus) 		4 / 5 HIS A  51
SER A 135
TYR A 150
GLY A 151
 None
 0.56A 5yodH-2whxA:
11.4		 5yodH-2whxA:
36.39
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.
6BXL_B_SAMB401_0
(2-(3-AMINO-3-CARBOXY
PROPYL)HISTIDINE
SYNTHASE)		 2whx SERINE
PROTEASE/NTPASE/HELI
CASE NS3
(Dengue
virus) 		5 / 12 GLY A 253
HIS A 251
VAL A 208
VAL A 257
ASP A 258
 None
 1.24A 6bxlB-2whxA:
3.5		 6bxlB-2whxA:
20.98
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.
6C2M_C_SUEC1203_0
(NS3 PROTEASE)		 2whx SERINE
PROTEASE/NTPASE/HELI
CASE NS3
(Dengue
virus) 		5 / 12 HIS A  51
VAL A  72
ASP A  75
GLY A 133
SER A 135
 None
 0.86A 6c2mC-2whxA:
11.2		 6c2mC-2whxA:
7.71
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.
6DJ1_B_AB1B201_0
(HIV-1 PROTEASE)		 2whx SERINE
PROTEASE/NTPASE/HELI
CASE NS3
(Dengue
virus) 		5 / 12 GLY A 198
ALA A 197
GLY A  82
GLY A 172
ILE A 171
 ADP  A1619 (-3.0A)
ADP  A1619 (-4.0A)
None
None
None
 0.87A 6dj1A-2whxA:
undetectable		 6dj1A-2whxA:
8.35
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.
6NMP_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2whx SERINE
PROTEASE/NTPASE/HELI
CASE NS3
(Dengue
virus) 		4 / 5 ILE A 572
LEU A 591
ARG A 440
LEU A 546
 None
 0.88A 6nmpN-2whxA:
undetectable
6nmpW-2whxA:
undetectable		 6nmpN-2whxA:
21.69
6nmpW-2whxA:
6.47