SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '6A8'


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.
1YAJ_F_BEZF5023_0
(CES1 PROTEIN)
5idk GENOME
POLYPROTEIN,SERINE
PROTEASE SUBUNIT
NS2B, SERINE
PROTEASE NS3

(West
Nile
virus)
4 / 6 LEU A1049
GLY A1151
SER A1163
ILE A1139
None
6A8  A1201 (-4.2A)
None
None
0.69A 1yajF-5idkA:
undetectable
1yajF-5idkA:
18.53
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.
2F8L_A_SAMA400_0
(HYPOTHETICAL PROTEIN
LMO1582)
5idk GENOME
POLYPROTEIN,SERINE
PROTEASE SUBUNIT
NS2B, SERINE
PROTEASE NS3

(West
Nile
virus)
5 / 12 ALA A1164
GLY A1153
VAL A1126
GLY A1124
ASP A1075
None
6A8  A1201 (-3.9A)
None
None
6A8  A1201 ( 4.2A)
1.03A 2f8lA-5idkA:
undetectable
2f8lA-5idkA:
21.31
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.
2OXT_B_SAMB300_1
(NUCLEOSIDE-2'-O-METH
YLTRANSFERASE)
5idk GENOME
POLYPROTEIN,SERINE
PROTEASE SUBUNIT
NS2B, SERINE
PROTEASE NS3

(West
Nile
virus)
4 / 5 SER A1135
GLY A1151
HIS A1047
ASP A1075
6A8  A1201 (-1.5A)
6A8  A1201 (-4.2A)
None
6A8  A1201 ( 4.2A)
1.13A 2oxtB-5idkA:
undetectable
2oxtB-5idkA:
23.16
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.
2Q64_B_1UNB1001_4
(PROTEASE RETROPEPSIN)
5idk GENOME
POLYPROTEIN,SERINE
PROTEASE SUBUNIT
NS2B, SERINE
PROTEASE NS3

(West
Nile
virus)
3 / 3 ASP A1075
THR A1118
PRO A1119
6A8  A1201 ( 4.2A)
None
None
0.67A 2q64B-5idkA:
undetectable
2q64B-5idkA:
19.25
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.
3SUE_C_SUEC1201_1
(NS3 PROTEASE, NS4A
PROTEIN)
5idk GENOME
POLYPROTEIN,SERINE
PROTEASE SUBUNIT
NS2B, SERINE
PROTEASE NS3

(West
Nile
virus)
5 / 12 HIS A1051
VAL A1072
ASP A1075
GLY A1133
SER A1135
6A8  A1201 (-3.3A)
None
6A8  A1201 ( 4.2A)
6A8  A1201 (-3.4A)
6A8  A1201 (-1.5A)
0.98A 3sueC-5idkA:
11.7
3sueC-5idkA:
23.05
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)
5idk GENOME
POLYPROTEIN,SERINE
PROTEASE SUBUNIT
NS2B, SERINE
PROTEASE NS3

(West
Nile
virus)
5 / 12 HIS A1051
VAL A1072
ASP A1075
GLY A1133
SER A1135
6A8  A1201 (-3.3A)
None
6A8  A1201 ( 4.2A)
6A8  A1201 (-3.4A)
6A8  A1201 (-1.5A)
0.96A 3sufD-5idkA:
11.9
3sufD-5idkA:
22.04
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.
3TKG_C_ROCC901_3
(PROTEASE)
5idk GENOME
POLYPROTEIN,SERINE
PROTEASE SUBUNIT
NS2B, SERINE
PROTEASE NS3

(West
Nile
virus)
3 / 3 ASP A1075
THR A1118
PRO A1119
6A8  A1201 ( 4.2A)
None
None
0.66A 3tkgD-5idkA:
undetectable
3tkgD-5idkA:
19.34
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.
4IV0_A_SAMA302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)
5idk GENOME
POLYPROTEIN,SERINE
PROTEASE SUBUNIT
NS2B, SERINE
PROTEASE NS3

(West
Nile
virus)
6 / 12 VAL A  75
GLY A1153
GLY A1151
ILE A1162
ILE A1155
LEU A  87
None
6A8  A1201 (-3.9A)
6A8  A1201 (-4.2A)
None
6A8  A1201 (-4.6A)
None
1.36A 4iv0A-5idkA:
undetectable
4iv0A-5idkA:
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.
4MWZ_B_SAMB301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)
5idk GENOME
POLYPROTEIN,SERINE
PROTEASE SUBUNIT
NS2B, SERINE
PROTEASE NS3

(West
Nile
virus)
6 / 12 VAL A  75
GLY A1153
GLY A1151
ILE A1162
ILE A1155
LEU A  87
None
6A8  A1201 (-3.9A)
6A8  A1201 (-4.2A)
None
6A8  A1201 (-4.6A)
None
1.37A 4mwzB-5idkA:
undetectable
4mwzB-5idkA:
21.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5YOD_B_BEZB201_0
(NS3 PROTEASE)
5idk GENOME
POLYPROTEIN,SERINE
PROTEASE SUBUNIT
NS2B, SERINE
PROTEASE NS3

(West
Nile
virus)
4 / 5 HIS A1051
SER A1135
GLY A1151
TYR A1161
6A8  A1201 (-3.3A)
6A8  A1201 (-1.5A)
6A8  A1201 (-4.2A)
6A8  A1201 (-4.1A)
0.51A 5yodB-5idkA:
24.5
5yodB-5idkA:
52.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5YOD_D_BEZD201_0
(NS3 PROTEASE)
5idk GENOME
POLYPROTEIN,SERINE
PROTEASE SUBUNIT
NS2B, SERINE
PROTEASE NS3

(West
Nile
virus)
4 / 5 HIS A1051
SER A1135
GLY A1151
TYR A1161
6A8  A1201 (-3.3A)
6A8  A1201 (-1.5A)
6A8  A1201 (-4.2A)
6A8  A1201 (-4.1A)
0.38A 5yodD-5idkA:
24.4
5yodD-5idkA:
52.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5YOD_F_BEZF201_0
(NS3 PROTEASE)
5idk GENOME
POLYPROTEIN,SERINE
PROTEASE SUBUNIT
NS2B, SERINE
PROTEASE NS3

(West
Nile
virus)
4 / 5 HIS A1051
SER A1135
TYR A1150
TYR A1161
6A8  A1201 (-3.3A)
6A8  A1201 (-1.5A)
None
6A8  A1201 (-4.1A)
0.54A 5yodF-5idkA:
23.9
5yodF-5idkA:
52.61
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)
5idk GENOME
POLYPROTEIN,SERINE
PROTEASE SUBUNIT
NS2B, SERINE
PROTEASE NS3

(West
Nile
virus)
5 / 5 HIS A1051
SER A1135
TYR A1150
GLY A1151
TYR A1161
6A8  A1201 (-3.3A)
6A8  A1201 (-1.5A)
None
6A8  A1201 (-4.2A)
6A8  A1201 (-4.1A)
0.50A 5yodH-5idkA:
23.7
5yodH-5idkA:
52.61