SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2qir'

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.	1E7C_A_HLTA4008_1 (SERUM ALBUMIN)	2qir	AMINOGLYCOSIDE 6-N-ACETYLTRANSFERAS E TYPE IB11 (Salmonella enterica)	5 / 8	ALA A 80 LEU A 129 LEU A 15 LEU A 122 ALA A 125	None	1.41A	1e7cA-2qirA: undetectable	1e7cA-2qirA: 14.80
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.	1L2I_B_CCSB417_0 (ESTROGEN RECEPTOR)	2qir	AMINOGLYCOSIDE 6-N-ACETYLTRANSFERAS E TYPE IB11 (Salmonella enterica)	4 / 6	PHE A 182 GLN A 177 LYS A 138 VAL A 136	None	1.32A	1l2iB-2qirA: undetectable	1l2iB-2qirA: 20.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2BUE_A_RIOA1201_0 (AAC(6')-IB)	2qir	AMINOGLYCOSIDE 6-N-ACETYLTRANSFERAS E TYPE IB11 (Salmonella enterica)	10 / 11	TRP A 39 TYR A 55 GLU A 63 GLN A 81 TYR A 83 SER A 88 TRP A 92 TRP A 93 ASP A 105 ASP A 142	9CS A 501 (-4.1A) None 9CS A 501 (-4.6A) 9CS A 501 (-4.0A) 9CS A 501 (-3.4A) 9CS A 501 (-3.0A) 9CS A 501 (-4.1A) 9CS A 501 (-4.3A) 9CS A 501 (-2.9A) 9CS A 501 (-2.5A)	0.63A	2bueA-2qirA: 32.5	2bueA-2qirA: 90.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2VQY_A_PARA1201_1 (AAC(6')-IB)	2qir	AMINOGLYCOSIDE 6-N-ACETYLTRANSFERAS E TYPE IB11 (Salmonella enterica)	8 / 12	TYR A 55 LEU A 60 GLU A 63 VAL A 65 GLN A 81 TYR A 83 SER A 88 ASP A 105	None None 9CS A 501 (-4.6A) None 9CS A 501 (-4.0A) 9CS A 501 (-3.4A) 9CS A 501 (-3.0A) 9CS A 501 (-2.9A)	0.79A	2vqyA-2qirA: 32.8	2vqyA-2qirA: 90.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2VQY_A_PARA1201_1 (AAC(6')-IB)	2qir	AMINOGLYCOSIDE 6-N-ACETYLTRANSFERAS E TYPE IB11 (Salmonella enterica)	10 / 12	TYR A 55 LEU A 60 VAL A 65 GLN A 81 TYR A 83 SER A 88 TRP A 92 ASP A 105 ASP A 142 ASP A 169	None None None 9CS A 501 (-4.0A) 9CS A 501 (-3.4A) 9CS A 501 (-3.0A) 9CS A 501 (-4.1A) 9CS A 501 (-2.9A) 9CS A 501 (-2.5A) None	0.38A	2vqyA-2qirA: 32.8	2vqyA-2qirA: 90.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2VQY_A_PARA1201_2 (AAC(6')-IB)	2qir	AMINOGLYCOSIDE 6-N-ACETYLTRANSFERAS E TYPE IB11 (Salmonella enterica)	3 / 3	TRP A 39 GLN A 54 TRP A 93	9CS A 501 (-4.1A) None 9CS A 501 (-4.3A)	0.23A	2vqyA-2qirA: 32.8	2vqyA-2qirA: 90.29

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1E7C_A_HLTA4008_1","SERUM ALBUMIN","2qir","AMINOGLYCOSIDE 6-N-ACETYLTRANSFERASE TYPE IB11","Salmonella enterica",5,"ALA A  80;LEU A 129;LEU A  15;LEU A 122;ALA A 125","None","1.41A","1e7cA-2qirA:undetectable","1e7cA-2qirA:14.80"],["1L2I_B_CCSB417_0","ESTROGEN RECEPTOR","2qir","AMINOGLYCOSIDE 6-N-ACETYLTRANSFERASE TYPE IB11","Salmonella enterica",4,"PHE A 182;GLN A 177;LYS A 138;VAL A 136","None","1.32A","1l2iB-2qirA:undetectable","1l2iB-2qirA:20.69"],["2BUE_A_RIOA1201_0","AAC(6')-IB","2qir","AMINOGLYCOSIDE 6-N-ACETYLTRANSFERASE TYPE IB11","Salmonella enterica",10,"TRP A  39;TYR A  55;GLU A  63;GLN A  81;TYR A  83;SER A  88;TRP A  92;TRP A  93;ASP A 105;ASP A 142","9CS A 501 (-4.1A);None;9CS A 501 (-4.6A);9CS A 501 (-4.0A);9CS A 501 (-3.4A);9CS A 501 (-3.0A);9CS A 501 (-4.1A);9CS A 501 (-4.3A);9CS A 501 (-2.9A);9CS A 501 (-2.5A)","0.63A","2bueA-2qirA:32.5","2bueA-2qirA:90.29"],["2VQY_A_PARA1201_1","AAC(6')-IB","2qir","AMINOGLYCOSIDE 6-N-ACETYLTRANSFERASE TYPE IB11","Salmonella enterica",8,"TYR A  55;LEU A  60;GLU A  63;VAL A  65;GLN A  81;TYR A  83;SER A  88;ASP A 105","None;None;9CS A 501 (-4.6A);None;9CS A 501 (-4.0A);9CS A 501 (-3.4A);9CS A 501 (-3.0A);9CS A 501 (-2.9A)","0.79A","2vqyA-2qirA:32.8","2vqyA-2qirA:90.29"],["2VQY_A_PARA1201_1","AAC(6')-IB","2qir","AMINOGLYCOSIDE 6-N-ACETYLTRANSFERASE TYPE IB11","Salmonella enterica",10,"TYR A  55;LEU A  60;VAL A  65;GLN A  81;TYR A  83;SER A  88;TRP A  92;ASP A 105;ASP A 142;ASP A 169","None;None;None;9CS A 501 (-4.0A);9CS A 501 (-3.4A);9CS A 501 (-3.0A);9CS A 501 (-4.1A);9CS A 501 (-2.9A);9CS A 501 (-2.5A);None","0.38A","2vqyA-2qirA:32.8","2vqyA-2qirA:90.29"],["2VQY_A_PARA1201_2","AAC(6')-IB","2qir","AMINOGLYCOSIDE 6-N-ACETYLTRANSFERASE TYPE IB11","Salmonella enterica",3,"TRP A  39;GLN A  54;TRP A  93","9CS A 501 (-4.1A);None;9CS A 501 (-4.3A)","0.23A","2vqyA-2qirA:32.8","2vqyA-2qirA:90.29"]]