SIMILAR PATTERNS OF AMINO ACIDS FOR 2QPU_B_QPSB3000

List of similar pattern of amino acids derived from ASSAM search

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 link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1amy 1,4-ALPHA-D-GLUCAN
GLUCANOHYDROLASE

(Hordeum vulgare) 		PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2) 		6 LYS A 373
VAL A 380
HIS A 393
ASP A 396
ALA A 398
TRP A 400
 None
 0.50A 2qpuB-1amyA:
17.1		 2qpuB-1amyA:
75.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qps ALPHA-AMYLASE TYPE A
ISOZYME

(Hordeum vulgare) 		PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2) 		8 LYS A 375
ASP A 381
VAL A 382
THR A 392
HIS A 395
ASP A 398
ALA A 400
TRP A 402
 None
 0.73A 2qpuB-2qpsA:
69.9		 2qpuB-2qpsA:
99.51
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.
3kwl UNCHARACTERIZED
PROTEIN

(Helicobacter
pylori) 		no annotation 5 TYR A 442
ASP A 246
VAL A 247
ASP A 310
ALA A 242
 None
 1.32A 2qpuB-3kwlA:
1.0		 2qpuB-3kwlA:
21.17
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.
3n2x UNCHARACTERIZED
PROTEIN YAGE

(Escherichia
coli) 		PF00701
(DHDPS) 		5 ASP A 110
VAL A  85
HIS A 103
ASP A  77
ALA A  72
 None
 1.38A 2qpuB-3n2xA:
6.7		 2qpuB-3n2xA:
21.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wn6 ALPHA-AMYLASE

(Oryza sativa) 		PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2) 		7 LYS A 398
TYR A 403
ASP A 404
VAL A 405
HIS A 418
ALA A 423
TRP A 425
 None
 1.15A 2qpuB-3wn6A:
68.0		 2qpuB-3wn6A:
76.05
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.
4oe7 PROBABLE
2-KETO-3-DEOXY-GALAC
TONATE ALDOLASE YAGE

(Escherichia
coli) 		PF00701
(DHDPS) 		5 ASP A 110
VAL A  85
HIS A 103
ASP A  77
ALA A  72
 None
None
EDO  A 405 ( 3.9A)
None
EDO  A 405 (-3.5A)
 1.40A 2qpuB-4oe7A:
8.8		 2qpuB-4oe7A:
21.09