SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '0YN'

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.	4KYS_A_VIBA501_1 (THIAMINE PYRIDINYLASE I)	4hcy	THIAMINASE-I (Naegleria gruberi)	5 / 10	ASP A 68 TYR A 230 TYR A 260 ASP A 262 LEU A 16	0YN A 401 (-3.5A) 0YN A 401 (-3.9A) 0YN A 401 ( 4.1A) 0YN A 401 (-2.9A) None	1.33A	4kysA-4hcyA: 32.7	4kysA-4hcyA: 23.57
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.	4KYS_A_VIBA501_1 (THIAMINE PYRIDINYLASE I)	4hcy	THIAMINASE-I (Naegleria gruberi)	6 / 10	TYR A 53 ASP A 68 TYR A 230 GLU A 232 TYR A 260 ASP A 262	0YN A 401 (-3.8A) 0YN A 401 (-3.5A) 0YN A 401 (-3.9A) 0YN A 401 (-3.1A) 0YN A 401 ( 4.1A) 0YN A 401 (-2.9A)	0.61A	4kysA-4hcyA: 32.7	4kysA-4hcyA: 23.57
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.	4KYS_B_VIBB501_1 (THIAMINE PYRIDINYLASE I)	4hcy	THIAMINASE-I (Naegleria gruberi)	5 / 11	ASP A 68 TYR A 230 TYR A 260 ASP A 262 LEU A 16	0YN A 401 (-3.5A) 0YN A 401 (-3.9A) 0YN A 401 ( 4.1A) 0YN A 401 (-2.9A) None	1.33A	4kysB-4hcyA: 32.7	4kysB-4hcyA: 23.57
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.	4KYS_B_VIBB501_1 (THIAMINE PYRIDINYLASE I)	4hcy	THIAMINASE-I (Naegleria gruberi)	6 / 11	TYR A 53 ASP A 68 TYR A 230 GLU A 232 TYR A 260 ASP A 262	0YN A 401 (-3.8A) 0YN A 401 (-3.5A) 0YN A 401 (-3.9A) 0YN A 401 (-3.1A) 0YN A 401 ( 4.1A) 0YN A 401 (-2.9A)	0.60A	4kysB-4hcyA: 32.7	4kysB-4hcyA: 23.57

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["4KYS_A_VIBA501_1","THIAMINE PYRIDINYLASE I","4hcy","THIAMINASE-I","Naegleria gruberi",5,"ASP A  68;TYR A 230;TYR A 260;ASP A 262;LEU A  16","0YN A 401 (-3.5A);0YN A 401 (-3.9A);0YN A 401 ( 4.1A);0YN A 401 (-2.9A);None","1.33A","4kysA-4hcyA:32.7",null],["4KYS_A_VIBA501_1","THIAMINE PYRIDINYLASE I","4hcy","THIAMINASE-I","Naegleria gruberi",6,"TYR A  53;ASP A  68;TYR A 230;GLU A 232;TYR A 260;ASP A 262","0YN A 401 (-3.8A);0YN A 401 (-3.5A);0YN A 401 (-3.9A);0YN A 401 (-3.1A);0YN A 401 ( 4.1A);0YN A 401 (-2.9A)","0.61A","4kysA-4hcyA:32.7","4kysA-4hcyA:23.57"],["4KYS_B_VIBB501_1","THIAMINE PYRIDINYLASE I","4hcy","THIAMINASE-I","Naegleria gruberi",5,"ASP A  68;TYR A 230;TYR A 260;ASP A 262;LEU A  16","0YN A 401 (-3.5A);0YN A 401 (-3.9A);0YN A 401 ( 4.1A);0YN A 401 (-2.9A);None","1.33A","4kysB-4hcyA:32.7","4kysA-4hcyA:23.57"],["4KYS_B_VIBB501_1","THIAMINE PYRIDINYLASE I","4hcy","THIAMINASE-I","Naegleria gruberi",6,"TYR A  53;ASP A  68;TYR A 230;GLU A 232;TYR A 260;ASP A 262","0YN A 401 (-3.8A);0YN A 401 (-3.5A);0YN A 401 (-3.9A);0YN A 401 (-3.1A);0YN A 401 ( 4.1A);0YN A 401 (-2.9A)","0.60A","4kysB-4hcyA:32.7","4kysB-4hcyA:23.57"]]