SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'CBQ'

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.	4BUP_B_SAMB500_0 (HISTONE-LYSINE N-METHYLTRANSFERASE SUV420H1)	1t1s	1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE (Escherichia coli)	5 / 12	SER A 253 GLY A 187 ALA A 222 SER A 212 GLU A 151	SO4 A1001 ( 4.8A) None None None CBQ A2001 ( 3.0A)	1.44A	4bupB-1t1sA: undetectable	4bupB-1t1sA: 20.00
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.	4KOV_A_KOVA204_1 (UNCHARACTERIZED PROTEIN)	1t1s	1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE (Escherichia coli)	5 / 12	ASN A 226 MET A 225 ILE A 355 ARG A 215 LEU A 346	CBQ A2001 (-3.9A) None None None None	1.35A	4kovA-1t1sA: undetectable	4kovA-1t1sA: 18.07
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.	4KOY_A_CSCA214_1 (UNCHARACTERIZED PROTEIN)	1t1s	1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE (Escherichia coli)	5 / 11	ASN A 226 MET A 225 ILE A 355 ARG A 215 LEU A 346	CBQ A2001 (-3.9A) None None None None	1.34A	4koyA-1t1sA: 0.5	4koyA-1t1sA: 18.07
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.	6CI6_A_NBOA607_1 (SERUM ALBUMIN)	1t1s	1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE (Escherichia coli)	4 / 7	ASP A 149 ALA A 122 LYS A 124 LEU A 127	MG A1002 ( 3.3A) None CBQ A2001 ( 3.1A) None	0.86A	6ci6A-1t1sA: undetectable	6ci6A-1t1sA: 13.09

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["4BUP_B_SAMB500_0","HISTONE-LYSINE N-METHYLTRANSFERASE SUV420H1","1t1s","1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE","Escherichia coli",5,"SER A 253;GLY A 187;ALA A 222;SER A 212;GLU A 151","SO4 A1001 ( 4.8A);None;None;None;CBQ A2001 ( 3.0A)","1.44A","4bupB-1t1sA:undetectable",null],["4KOV_A_KOVA204_1","UNCHARACTERIZED PROTEIN","1t1s","1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE","Escherichia coli",5,"ASN A 226;MET A 225;ILE A 355;ARG A 215;LEU A 346","CBQ A2001 (-3.9A);None;None;None;None","1.35A","4kovA-1t1sA:undetectable","4bupB-1t1sA:20.00"],["4KOY_A_CSCA214_1","UNCHARACTERIZED PROTEIN","1t1s","1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE","Escherichia coli",5,"ASN A 226;MET A 225;ILE A 355;ARG A 215;LEU A 346","CBQ A2001 (-3.9A);None;None;None;None","1.34A","4koyA-1t1sA:0.5","4kovA-1t1sA:18.07"],["6CI6_A_NBOA607_1","SERUM ALBUMIN","1t1s","1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE","Escherichia coli",4,"ASP A 149;ALA A 122;LYS A 124;LEU A 127"," MG A1002 ( 3.3A);None;CBQ A2001 ( 3.1A);None","0.86A","6ci6A-1t1sA:undetectable","4koyA-1t1sA:18.07"]]