SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3IT'


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.
1MEH_A_MOAA600_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 4yrd CAPSULAR
POLYSACCHARIDE
SYNTHESIS ENZYME
CAP5F
(Staphylococcus
aureus) 		5 / 10 ASN A 277
ILE A 278
GLY A 260
GLU A 340
GLY A 282
 3IT  A 402 ( 4.2A)
None
None
None
None
 1.21A 1mehA-4yrdA:
undetectable		 1mehA-4yrdA:
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.
5B2Q_A_ACTA1728_0
(CRISPR-ASSOCIATED
ENDONUCLEASE CAS9)		 4yrd CAPSULAR
POLYSACCHARIDE
SYNTHESIS ENZYME
CAP5F
(Staphylococcus
aureus) 		3 / 3 ASN A 277
SER A 279
ARG A 259
 3IT  A 402 ( 4.2A)
None
None
 0.66A 5b2qA-4yrdA:
undetectable		 5b2qA-4yrdA:
12.55