SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2WS'


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.
2BTE_A_LEUA1894_0
(AMINOACYL-TRNA
SYNTHETASE)		 4pvi GH62 HYDROLASE
(Mycothermus
thermophilus) 		4 / 8 SER A  70
TYR A  77
TYR A 338
HIS A 303
 None
None
2WS  A 601 (-4.1A)
None
 1.18A 2bteA-4pviA:
undetectable		 2bteA-4pviA:
16.59
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.
2PGZ_D_COCD401_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 4pvi GH62 HYDROLASE
(Mycothermus
thermophilus) 		4 / 6 TRP A 229
TYR A 338
TYR A 226
ILE A 253
 2WS  A 601 (-4.0A)
2WS  A 601 (-4.1A)
2WS  A 601 (-4.9A)
None
 1.49A 2pgzD-4pviA:
undetectable
2pgzE-4pviA:
undetectable		 2pgzD-4pviA:
20.58
2pgzE-4pviA:
20.58
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.
2W98_A_P1ZA1352_1
(PROSTAGLANDIN
REDUCTASE 2)		 4pvi GH62 HYDROLASE
(Mycothermus
thermophilus) 		4 / 7 TYR A 168
TYR A 226
ASN A 339
LYS A  54
 2WS  A 601 (-4.0A)
2WS  A 601 (-4.9A)
2WS  A 601 (-2.8A)
None
 1.26A 2w98A-4pviA:
undetectable
2w98B-4pviA:
undetectable		 2w98A-4pviA:
19.74
2w98B-4pviA:
19.74
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.
3HRD_E_NIOE5660_1
(NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT)		 4pvi GH62 HYDROLASE
(Mycothermus
thermophilus) 		3 / 3 GLU A 230
GLU A 251
TRP A 343
 2WS  A 601 (-2.7A)
None
None
 1.26A 3hrdA-4pviA:
undetectable
3hrdE-4pviA:
undetectable
3hrdF-4pviA:
undetectable		 3hrdA-4pviA:
22.01
3hrdE-4pviA:
22.01
3hrdF-4pviA:
21.56
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.
5KGJ_A_X6XA402_1
(PREDICTED
ACETYLTRANSFERASE)		 4pvi GH62 HYDROLASE
(Mycothermus
thermophilus) 		4 / 5 ARG A 259
GLU A 251
ASP A  55
TRP A 343
 2WS  A 601 (-3.1A)
None
None
None
 1.41A 5kgjA-4pviA:
undetectable		 5kgjA-4pviA:
20.16