SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3KK'

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.	2XYT_D_TC9D1206_2 (SOLUBLE ACETYLCHOLINE RECEPTOR)	4r3u	2-HYDROXYISOBUTYRYL- COA MUTASE LARGE SUBUNIT (Aquincola tertiaricarbonis)	4 / 8	THR A 167 GLN A 208 ASP A 117 SER A 115	3KK A 802 ( 3.4A) 3KK A 802 (-3.8A) 3KK A 802 ( 2.7A) 3HC A 801 ( 3.5A)	1.11A	2xytE-4r3uA: undetectable	2xytE-4r3uA: 17.25
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.	2XZ5_D_ACHD1211_0 (SOLUBLE ACETYLCHOLINE RECEPTOR)	4r3u	2-HYDROXYISOBUTYRYL- COA MUTASE LARGE SUBUNIT (Aquincola tertiaricarbonis)	4 / 8	THR A 167 GLN A 208 ASP A 117 SER A 115	3KK A 802 ( 3.4A) 3KK A 802 (-3.8A) 3KK A 802 ( 2.7A) 3HC A 801 ( 3.5A)	1.16A	2xz5C-4r3uA: undetectable 2xz5D-4r3uA: undetectable	2xz5C-4r3uA: 17.25 2xz5D-4r3uA: 17.25
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.	3CR4_X_PNTX101_0 (PROTEIN S100-B)	4r3u	2-HYDROXYISOBUTYRYL- COA MUTASE LARGE SUBUNIT (Aquincola tertiaricarbonis)	3 / 3	CYH A 331 HIS A 366 PHE A 288	None 5AD A 803 ( 4.8A) 3KK A 802 ( 4.1A)	1.20A	3cr4X-4r3uA: undetectable	3cr4X-4r3uA: 9.42

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["2XYT_D_TC9D1206_2","SOLUBLE ACETYLCHOLINE RECEPTOR;SOLUBLE ACETYLCHOLINE RECEPTOR","4r3u","2-HYDROXYISOBUTYRYL-COA MUTASE LARGE SUBUNIT","Aquincola tertiaricarbonis",4,"THR A 167;GLN A 208;ASP A 117;SER A 115","3KK A 802 ( 3.4A);3KK A 802 (-3.8A);3KK A 802 ( 2.7A);3HC A 801 ( 3.5A)","1.11A","2xytE-4r3uA:undetectable",null],["2XZ5_D_ACHD1211_0","SOLUBLE ACETYLCHOLINE RECEPTOR","4r3u","2-HYDROXYISOBUTYRYL-COA MUTASE LARGE SUBUNIT","Aquincola tertiaricarbonis",4,"THR A 167;GLN A 208;ASP A 117;SER A 115","3KK A 802 ( 3.4A);3KK A 802 (-3.8A);3KK A 802 ( 2.7A);3HC A 801 ( 3.5A)","1.16A","2xz5C-4r3uA:undetectable;2xz5D-4r3uA:undetectable","2xytE-4r3uA:17.25"],["3CR4_X_PNTX101_0","PROTEIN S100-B","4r3u","2-HYDROXYISOBUTYRYL-COA MUTASE LARGE SUBUNIT","Aquincola tertiaricarbonis",3,"CYH A 331;HIS A 366;PHE A 288","None;5AD A 803 ( 4.8A);3KK A 802 ( 4.1A)","1.20A","3cr4X-4r3uA:undetectable","2xz5C-4r3uA:17.25;2xz5D-4r3uA:17.25"]]