SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'MCO'

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.	2BR4_F_SAMF301_1 (CEPHALOSPORIN HYDROXYLASE CMCI)	1m2x	CLASS B CARBAPENEMASE BLAB-1 (Elizabethkingia meningoseptica)	3 / 3	LYS A 167 ASP A 84 CYH A 221	MCO A 811 ( 2.7A) None ZN A 902 (-2.3A)	1.11A	2br4F-1m2xA: undetectable	2br4F-1m2xA: 21.43
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.	4C1D_A_X8ZA350_1 (BETA-LACTAMASE CLASS B VIM-2)	1m2x	CLASS B CARBAPENEMASE BLAB-1 (Elizabethkingia meningoseptica)	7 / 9	TYR A 67 TRP A 87 HIS A 118 ASP A 120 HIS A 196 CYH A 221 HIS A 263	None MCO A 811 ( 4.8A) ZN A 901 ( 3.1A) ZN A 902 ( 2.5A) ZN A 901 ( 3.2A) ZN A 902 (-2.3A) ZN A 902 (-3.2A)	0.60A	4c1dA-1m2xA: 32.2	4c1dA-1m2xA: 28.63
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.	4C1D_B_X8ZB350_1 (BETA-LACTAMASE CLASS B VIM-2)	1m2x	CLASS B CARBAPENEMASE BLAB-1 (Elizabethkingia meningoseptica)	8 / 10	TYR A 67 TRP A 87 HIS A 116 HIS A 118 ASP A 120 HIS A 196 CYH A 221 HIS A 263	None MCO A 811 ( 4.8A) ZN A 901 (-3.3A) ZN A 901 ( 3.1A) ZN A 902 ( 2.5A) ZN A 901 ( 3.2A) ZN A 902 (-2.3A) ZN A 902 (-3.2A)	0.54A	4c1dB-1m2xA: 32.2	4c1dB-1m2xA: 28.63

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["2BR4_F_SAMF301_1","CEPHALOSPORIN HYDROXYLASE CMCI","1m2x","CLASS B CARBAPENEMASE BLAB-1","Elizabethkingia meningoseptica",3,"LYS A 167;ASP A  84;CYH A 221","MCO A 811 ( 2.7A);None; ZN A 902 (-2.3A)","1.11A","2br4F-1m2xA:undetectable",null],["4C1D_A_X8ZA350_1","BETA-LACTAMASE CLASS B VIM-2","1m2x","CLASS B CARBAPENEMASE BLAB-1","Elizabethkingia meningoseptica",7,"TYR A  67;TRP A  87;HIS A 118;ASP A 120;HIS A 196;CYH A 221;HIS A 263","None;MCO A 811 ( 4.8A); ZN A 901 ( 3.1A); ZN A 902 ( 2.5A); ZN A 901 ( 3.2A); ZN A 902 (-2.3A); ZN A 902 (-3.2A)","0.60A","4c1dA-1m2xA:32.2","2br4F-1m2xA:21.43"],["4C1D_B_X8ZB350_1","BETA-LACTAMASE CLASS B VIM-2","1m2x","CLASS B CARBAPENEMASE BLAB-1","Elizabethkingia meningoseptica",8,"TYR A  67;TRP A  87;HIS A 116;HIS A 118;ASP A 120;HIS A 196;CYH A 221;HIS A 263","None;MCO A 811 ( 4.8A); ZN A 901 (-3.3A); ZN A 901 ( 3.1A); ZN A 902 ( 2.5A); ZN A 901 ( 3.2A); ZN A 902 (-2.3A); ZN A 902 (-3.2A)","0.54A","4c1dB-1m2xA:32.2","4c1dA-1m2xA:28.63"]]