SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3can'

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 (%)
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.	1A29_A_TFPA154_1 (CALMODULIN)	3can	PYRUVATE-FORMATE LYASE-ACTIVATING ENZYME (Bacteroides vulgatus)	5 / 10	GLU A 120 ALA A 123 LEU A 125 LEU A 85 MET A 68	None	1.31A	1a29A-3canA: undetectable	1a29A-3canA: 23.33
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.	3A50_D_VD3D2001_1 (VITAMIN D HYDROXYLASE)	3can	PYRUVATE-FORMATE LYASE-ACTIVATING ENZYME (Bacteroides vulgatus)	5 / 12	ILE A 173 ASN A 81 ILE A 132 ALA A 181 LEU A 104	None	1.11A	3a50D-3canA: undetectable	3a50D-3canA: 18.50
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.	3VW1_B_CVIB301_0 (PUTATIVE REGULATORY PROTEIN)	3can	PYRUVATE-FORMATE LYASE-ACTIVATING ENZYME (Bacteroides vulgatus)	5 / 12	TYR A 98 LEU A 65 ILE A 88 ALA A 92 LEU A 174	None	0.90A	3vw1B-3canA: undetectable	3vw1B-3canA: 19.81
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.	3VW1_B_CVIB301_0 (PUTATIVE REGULATORY PROTEIN)	3can	PYRUVATE-FORMATE LYASE-ACTIVATING ENZYME (Bacteroides vulgatus)	5 / 12	TYR A 98 LEU A 65 ILE A 115 ILE A 88 LEU A 174	None	1.17A	3vw1B-3canA: undetectable	3vw1B-3canA: 19.81

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1A29_A_TFPA154_1","CALMODULIN","3can","PYRUVATE-FORMATE LYASE-ACTIVATING ENZYME","Bacteroides vulgatus",5,"GLU A 120;ALA A 123;LEU A 125;LEU A  85;MET A  68","None","1.31A","1a29A-3canA:undetectable","1a29A-3canA:23.33"],["3A50_D_VD3D2001_1","VITAMIN D HYDROXYLASE","3can","PYRUVATE-FORMATE LYASE-ACTIVATING ENZYME","Bacteroides vulgatus",5,"ILE A 173;ASN A  81;ILE A 132;ALA A 181;LEU A 104","None","1.11A","3a50D-3canA:undetectable","3a50D-3canA:18.50"],["3VW1_B_CVIB301_0","PUTATIVE REGULATORY PROTEIN","3can","PYRUVATE-FORMATE LYASE-ACTIVATING ENZYME","Bacteroides vulgatus",5,"TYR A  98;LEU A  65;ILE A  88;ALA A  92;LEU A 174","None","0.90A","3vw1B-3canA:undetectable","3vw1B-3canA:19.81"],["3VW1_B_CVIB301_0","PUTATIVE REGULATORY PROTEIN","3can","PYRUVATE-FORMATE LYASE-ACTIVATING ENZYME","Bacteroides vulgatus",5,"TYR A  98;LEU A  65;ILE A 115;ILE A  88;LEU A 174","None","1.17A","3vw1B-3canA:undetectable","3vw1B-3canA:19.81"]]