SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1qs2'

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.
1IWH_A_PEMA501_1
(HEMOGLOBIN ALPHA
CHAIN)		 1qs2 ADP-RIBOSYLTRANSFERA
SE
(Bacillus
cereus) 		5 / 6 ALA A 327
LYS A 330
ASP A 334
ALA A 335
LEU A 291
 None
 0.87A 1iwhA-1qs2A:
undetectable		 1iwhA-1qs2A:
16.50
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.
2C8A_A_NCAA1252_0
(MONO-ADP-RIBOSYLTRAN
SFERASE C3)		 1qs2 ADP-RIBOSYLTRANSFERA
SE
(Bacillus
cereus) 		4 / 7 ARG A 349
SER A 386
PHE A 397
ARG A 400
 NAD  A 500 (-3.7A)
NAD  A 500 ( 3.8A)
NAD  A 500 (-3.5A)
NAD  A 500 (-3.6A)
 0.95A 2c8aA-1qs2A:
23.0		 2c8aA-1qs2A:
23.41
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.
2C8A_B_NCAB1246_0
(MONO-ADP-RIBOSYLTRAN
SFERASE C3)		 1qs2 ADP-RIBOSYLTRANSFERA
SE
(Bacillus
cereus) 		4 / 7 ARG A 349
SER A 386
ARG A 400
GLU A 428
 NAD  A 500 (-3.7A)
NAD  A 500 ( 3.8A)
NAD  A 500 (-3.6A)
NAD  A 500 (-2.8A)
 0.77A 2c8aB-1qs2A:
19.7		 2c8aB-1qs2A:
23.41
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.
2C8A_B_NCAB1246_0
(MONO-ADP-RIBOSYLTRAN
SFERASE C3)		 1qs2 ADP-RIBOSYLTRANSFERA
SE
(Bacillus
cereus) 		4 / 7 ARG A 349
SER A 386
PHE A 397
ARG A 400
 NAD  A 500 (-3.7A)
NAD  A 500 ( 3.8A)
NAD  A 500 (-3.5A)
NAD  A 500 (-3.6A)
 0.90A 2c8aB-1qs2A:
19.7		 2c8aB-1qs2A:
23.41
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.
2C8A_C_NCAC1252_0
(MONO-ADP-RIBOSYLTRAN
SFERASE C3)		 1qs2 ADP-RIBOSYLTRANSFERA
SE
(Bacillus
cereus) 		4 / 6 ARG A 349
SER A 386
PHE A 397
ARG A 400
 NAD  A 500 (-3.7A)
NAD  A 500 ( 3.8A)
NAD  A 500 (-3.5A)
NAD  A 500 (-3.6A)
 0.99A 2c8aC-1qs2A:
23.2		 2c8aC-1qs2A:
23.41
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.
2C8A_D_NCAD1247_0
(MONO-ADP-RIBOSYLTRAN
SFERASE C3)		 1qs2 ADP-RIBOSYLTRANSFERA
SE
(Bacillus
cereus) 		4 / 7 ARG A 349
SER A 386
PHE A 397
ARG A 400
 NAD  A 500 (-3.7A)
NAD  A 500 ( 3.8A)
NAD  A 500 (-3.5A)
NAD  A 500 (-3.6A)
 0.93A 2c8aD-1qs2A:
20.1		 2c8aD-1qs2A:
23.41
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.
3HY7_A_097A801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		 1qs2 ADP-RIBOSYLTRANSFERA
SE
(Bacillus
cereus) 		5 / 9 ASP A 456
LEU A 406
THR A 387
ILE A 403
LEU A 404
 None
 1.34A 3hy7A-1qs2A:
undetectable		 3hy7A-1qs2A:
20.86
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.
4Y0Q_A_PX9A201_1
(BETA-LACTOGLOBULIN)		 1qs2 ADP-RIBOSYLTRANSFERA
SE
(Bacillus
cereus) 		3 / 3 LYS A 339
ILE A 341
ILE A 345
 None
 0.72A 4y0qA-1qs2A:
undetectable		 4y0qA-1qs2A:
18.32
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.
5GLM_A_ACTA613_0
(GLYCOSIDE HYDROLASE
FAMILY 43)		 1qs2 ADP-RIBOSYLTRANSFERA
SE
(Bacillus
cereus) 		3 / 3 ASP A 267
SER A 391
TYR A 348
 None
 0.56A 5glmA-1qs2A:
0.0		 5glmA-1qs2A:
22.84
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.
5JMN_B_FUAB1101_1
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		 1qs2 ADP-RIBOSYLTRANSFERA
SE
(Bacillus
cereus) 		4 / 5 ILE A 153
LYS A 263
HIS A 241
VAL A 242
 None
 1.19A 5jmnB-1qs2A:
0.0		 5jmnB-1qs2A:
16.79
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.
5JW1_B_CELB602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 1qs2 ADP-RIBOSYLTRANSFERA
SE
(Bacillus
cereus) 		4 / 6 VAL A 442
ARG A 180
ILE A 182
PHE A 177
 None
 1.01A 5jw1B-1qs2A:
undetectable		 5jw1B-1qs2A:
20.73
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.
6DGX_A_017A101_1
(PROTEASE)		 1qs2 ADP-RIBOSYLTRANSFERA
SE
(Bacillus
cereus) 		5 / 12 LEU A 266
VAL A 408
LEU A 459
PRO A 342
ILE A 345
 None
 1.00A 6dgxB-1qs2A:
undetectable		 6dgxB-1qs2A:
12.09
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.
6DH6_A_017A104_1
(PROTEASE)		 1qs2 ADP-RIBOSYLTRANSFERA
SE
(Bacillus
cereus) 		5 / 12 LEU A 266
VAL A 408
LEU A 459
PRO A 342
ILE A 345
 None
 0.97A 6dh6B-1qs2A:
undetectable		 6dh6B-1qs2A:
12.09
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.
6MN5_E_LLLE301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 1qs2 ADP-RIBOSYLTRANSFERA
SE
(Bacillus
cereus) 		4 / 7 ASP A 267
ARG A 405
TYR A 348
ASP A 456
 None
 1.30A 6mn5E-1qs2A:
0.0		 6mn5E-1qs2A:
11.97