SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4ML'

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.	1SV9_A_DIFA701_1 (PHOSPHOLIPASE A2)	3hfk	4-METHYLMUCONOLACTON E METHYLISOMERASE (Pseudomonas reinekei)	4 / 8	LEU A 98 ILE A 61 GLY A 65 HIS A 26	4ML A 201 ( 4.8A) None 4ML A 201 ( 4.2A) 4ML A 201 (-4.1A)	0.77A	1sv9A-3hfkA: undetectable	1sv9A-3hfkA: 20.74
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.	1ZEA_A_DHIA6_0 (MONOCLONAL ANTI-CHOLERA TOXIN IGG1 KAPPA ANTIBODY, H CHAIN MONOCLONAL ANTI-CHOLERA TOXIN IGG1 KAPPA ANTIBODY, L CHAIN SHORT SYNTHETIC D-AMINO ACID PEPTIDE D2)	3hfk	4-METHYLMUCONOLACTON E METHYLISOMERASE (Pseudomonas reinekei)	3 / 3	TRP A 87 ARG A 84 PHE A 88	4ML A 201 (-4.4A) 4ML A 202 (-3.5A) 4ML A 201 ( 3.6A)	1.14A	1zeaH-3hfkA: undetectable 1zeaL-3hfkA: undetectable	1zeaH-3hfkA: 19.19 1zeaL-3hfkA: 18.55
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.	2OTF_A_2TNA201_1 (PHOSPHOLIPASE A2 VRV-PL-VIIIA)	3hfk	4-METHYLMUCONOLACTON E METHYLISOMERASE (Pseudomonas reinekei)	4 / 5	LEU A 98 ILE A 61 GLY A 65 HIS A 26	4ML A 201 ( 4.8A) None 4ML A 201 ( 4.2A) 4ML A 201 (-4.1A)	0.97A	2otfA-3hfkA: undetectable	2otfA-3hfkA: 20.74

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1SV9_A_DIFA701_1","PHOSPHOLIPASE A2","3hfk","4-METHYLMUCONOLACTONE METHYLISOMERASE","Pseudomonas reinekei",4,"LEU A  98;ILE A  61;GLY A  65;HIS A  26","4ML A 201 ( 4.8A);None;4ML A 201 ( 4.2A);4ML A 201 (-4.1A)","0.77A","1sv9A-3hfkA:undetectable",null],["1ZEA_A_DHIA6_0","MONOCLONAL ANTI-CHOLERA TOXIN IGG1 KAPPA ANTIBODY, H CHAIN;MONOCLONAL ANTI-CHOLERA TOXIN IGG1 KAPPA ANTIBODY, L CHAIN;SHORT SYNTHETIC D-AMINO ACID PEPTIDE D2","3hfk","4-METHYLMUCONOLACTONE METHYLISOMERASE","Pseudomonas reinekei",3,"TRP A  87;ARG A  84;PHE A  88","4ML A 201 (-4.4A);4ML A 202 (-3.5A);4ML A 201 ( 3.6A)","1.14A","1zeaH-3hfkA:undetectable;1zeaL-3hfkA:undetectable","1sv9A-3hfkA:20.74"],["2OTF_A_2TNA201_1","PHOSPHOLIPASE A2 VRV-PL-VIIIA","3hfk","4-METHYLMUCONOLACTONE METHYLISOMERASE","Pseudomonas reinekei",4,"LEU A  98;ILE A  61;GLY A  65;HIS A  26","4ML A 201 ( 4.8A);None;4ML A 201 ( 4.2A);4ML A 201 (-4.1A)","0.97A","2otfA-3hfkA:undetectable","1zeaH-3hfkA:19.19;1zeaL-3hfkA:18.55"]]