SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3e39'

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.	2BM9_C_SAMC301_0 (CEPHALOSPORIN HYDROXYLASE CMCI)	3e39	PUTATIVE NITROREDUCTASE (Desulfovibrio alaskensis)	5 / 12	GLY A 37 CYH A 49 ASN A 106 ALA A 103 ALA A 100	None	0.96A	2bm9C-3e39A: undetectable	2bm9C-3e39A: 21.60
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.	2BM9_E_SAME301_0 (CEPHALOSPORIN HYDROXYLASE CMCI)	3e39	PUTATIVE NITROREDUCTASE (Desulfovibrio alaskensis)	5 / 12	GLY A 37 CYH A 49 ASN A 106 ALA A 103 ALA A 100	None	0.81A	2bm9E-3e39A: undetectable	2bm9E-3e39A: 21.60
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.	2BM9_F_SAMF301_0 (CEPHALOSPORIN HYDROXYLASE CMCI)	3e39	PUTATIVE NITROREDUCTASE (Desulfovibrio alaskensis)	5 / 12	GLY A 37 CYH A 49 ASN A 106 ALA A 103 ALA A 100	None	0.91A	2bm9F-3e39A: undetectable	2bm9F-3e39A: 21.60
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.	3SI7_A_ACTA4_0 (CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR)	3e39	PUTATIVE NITROREDUCTASE (Desulfovibrio alaskensis)	4 / 4	LEU A 116 GLY A 117 GLY A 151 THR A 21	None	0.91A	3si7A-3e39A: undetectable	3si7A-3e39A: 20.70

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["2BM9_C_SAMC301_0","CEPHALOSPORIN HYDROXYLASE CMCI","3e39","PUTATIVE NITROREDUCTASE","Desulfovibrio alaskensis",5,"GLY A  37;CYH A  49;ASN A 106;ALA A 103;ALA A 100","None","0.96A","2bm9C-3e39A:undetectable","2bm9C-3e39A:21.60"],["2BM9_E_SAME301_0","CEPHALOSPORIN HYDROXYLASE CMCI","3e39","PUTATIVE NITROREDUCTASE","Desulfovibrio alaskensis",5,"GLY A  37;CYH A  49;ASN A 106;ALA A 103;ALA A 100","None","0.81A","2bm9E-3e39A:undetectable","2bm9E-3e39A:21.60"],["2BM9_F_SAMF301_0","CEPHALOSPORIN HYDROXYLASE CMCI","3e39","PUTATIVE NITROREDUCTASE","Desulfovibrio alaskensis",5,"GLY A  37;CYH A  49;ASN A 106;ALA A 103;ALA A 100","None","0.91A","2bm9F-3e39A:undetectable","2bm9F-3e39A:21.60"],["3SI7_A_ACTA4_0","CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR","3e39","PUTATIVE NITROREDUCTASE","Desulfovibrio alaskensis",4,"LEU A 116;GLY A 117;GLY A 151;THR A  21","None","0.91A","3si7A-3e39A:undetectable","3si7A-3e39A:20.70"]]