SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'AEI'

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.	2X2I_A_QPSA1060_1 (ALPHA-1,4-GLUCAN LYASE ISOZYME 1)	4eca	L-ASPARAGINE AMIDOHYDROLASE (Escherichia coli)	5 / 12	THR A 86 SER A 118 THR A 26 GLY A 88 ALA A 114	None AEI A 12 ( 4.5A) None AEI A 12 ( 3.2A) AEI A 12 ( 4.4A)	1.14A	2x2iA-4ecaA: undetectable	2x2iA-4ecaA: 16.90
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.	3CV9_A_VDXA501_1 (CYTOCHROME P450-SU1)	4eca	L-ASPARAGINE AMIDOHYDROLASE (Escherichia coli)	5 / 9	THR A 86 VAL A 148 SER A 173 ILE A 13 GLY A 88	None None None AEI A 12 ( 4.4A) AEI A 12 ( 3.2A)	1.24A	3cv9A-4ecaA: undetectable	3cv9A-4ecaA: 22.71
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.	3ROD_A_NCAA302_0 (NICOTINAMIDE N-METHYLTRANSFERASE)	4eca	L-ASPARAGINE AMIDOHYDROLASE (Escherichia coli)	4 / 8	ASP A 124 ALA A 123 SER A 120 TYR A 25	None None None AEI A 12 (-4.0A)	1.10A	3rodA-4ecaA: undetectable	3rodA-4ecaA: 21.75
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.	4A6E_A_SAMA1349_1 (HYDROXYINDOLE O-METHYLTRANSFERASE)	4eca	L-ASPARAGINE AMIDOHYDROLASE (Escherichia coli)	3 / 3	TYR A 25 ASP A 90 ASP A 60	AEI A 12 (-4.0A) AEI A 12 (-2.7A) None	0.88A	4a6eA-4ecaA: undetectable	4a6eA-4ecaA: 21.16

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["2X2I_A_QPSA1060_1","ALPHA-1,4-GLUCAN LYASE ISOZYME 1","4eca","L-ASPARAGINE AMIDOHYDROLASE","Escherichia coli",5,"THR A  86;SER A 118;THR A  26;GLY A  88;ALA A 114","None;AEI A  12 ( 4.5A);None;AEI A  12 ( 3.2A);AEI A  12 ( 4.4A)","1.14A","2x2iA-4ecaA:undetectable",null],["3CV9_A_VDXA501_1","CYTOCHROME P450-SU1","4eca","L-ASPARAGINE AMIDOHYDROLASE","Escherichia coli",5,"THR A  86;VAL A 148;SER A 173;ILE A  13;GLY A  88","None;None;None;AEI A  12 ( 4.4A);AEI A  12 ( 3.2A)","1.24A","3cv9A-4ecaA:undetectable","2x2iA-4ecaA:16.90"],["3ROD_A_NCAA302_0","NICOTINAMIDE N-METHYLTRANSFERASE","4eca","L-ASPARAGINE AMIDOHYDROLASE","Escherichia coli",4,"ASP A 124;ALA A 123;SER A 120;TYR A  25","None;None;None;AEI A  12 (-4.0A)","1.10A","3rodA-4ecaA:undetectable","3cv9A-4ecaA:22.71"],["4A6E_A_SAMA1349_1","HYDROXYINDOLE O-METHYLTRANSFERASE","4eca","L-ASPARAGINE AMIDOHYDROLASE","Escherichia coli",3,"TYR A  25;ASP A  90;ASP A  60","AEI A  12 (-4.0A);AEI A  12 (-2.7A);None","0.88A","4a6eA-4ecaA:undetectable","3rodA-4ecaA:21.75"]]