SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'AUI'

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.	1OG5_A_SWFA502_1 (CYTOCHROME P450 2C9)	3wec	CYTOCHROME P450 (Rhodococcus erythropolis)	5 / 12	LEU A 399 ALA A 300 LEU A 186 ASN A 260 LEU A 371	AUI A 502 (-4.4A) AUI A 502 ( 3.7A) None None None	1.25A	1og5A-3wecA: 28.5	1og5A-3wecA: 23.63
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.	4MM8_A_RFXA603_1 (TRANSPORTER)	3wec	CYTOCHROME P450 (Rhodococcus erythropolis)	5 / 12	ASP A 67 ALA A 323 GLY A 90 GLY A 304 ASP A 75	None None None AUI A 502 (-3.5A) None	1.15A	4mm8A-3wecA: undetectable	4mm8A-3wecA: 23.29
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.	4MM9_A_FVXA603_1 (TRANSPORTER)	3wec	CYTOCHROME P450 (Rhodococcus erythropolis)	5 / 11	ASP A 67 ALA A 323 GLY A 90 GLY A 304 ASP A 75	None None None AUI A 502 (-3.5A) None	1.08A	4mm9A-3wecA: undetectable	4mm9A-3wecA: 23.29
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.	4U15_A_0HKA2001_1 (MUSCARINIC ACETYLCHOLINE RECEPTOR M3,LYSOZYME,MUSCARIN IC ACETYLCHOLINE RECEPTOR M3)	3wec	CYTOCHROME P450 (Rhodococcus erythropolis)	5 / 12	TYR A 354 SER A 351 THR A 258 THR A 257 ALA A 300	HEM A 501 (-4.4A) None HEM A 501 (-3.9A) HEM A 501 (-3.5A) AUI A 502 ( 3.7A)	1.22A	4u15A-3wecA: undetectable	4u15A-3wecA: 23.24
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.	4U15_B_0HKB1201_1 (MUSCARINIC ACETYLCHOLINE RECEPTOR M3,LYSOZYME,MUSCARIN IC ACETYLCHOLINE RECEPTOR M3)	3wec	CYTOCHROME P450 (Rhodococcus erythropolis)	5 / 12	TYR A 354 SER A 351 THR A 258 THR A 257 ALA A 300	HEM A 501 (-4.4A) None HEM A 501 (-3.9A) HEM A 501 (-3.5A) AUI A 502 ( 3.7A)	1.28A	4u15B-3wecA: undetectable	4u15B-3wecA: 23.24

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1OG5_A_SWFA502_1","CYTOCHROME P450 2C9","3wec","CYTOCHROME P450","Rhodococcus erythropolis",5,"LEU A 399;ALA A 300;LEU A 186;ASN A 260;LEU A 371","AUI A 502 (-4.4A);AUI A 502 ( 3.7A);None;None;None","1.25A","1og5A-3wecA:28.5",null],["4MM8_A_RFXA603_1","TRANSPORTER","3wec","CYTOCHROME P450","Rhodococcus erythropolis",5,"ASP A  67;ALA A 323;GLY A  90;GLY A 304;ASP A  75","None;None;None;AUI A 502 (-3.5A);None","1.15A","4mm8A-3wecA:undetectable","1og5A-3wecA:23.63"],["4MM9_A_FVXA603_1","TRANSPORTER","3wec","CYTOCHROME P450","Rhodococcus erythropolis",5,"ASP A  67;ALA A 323;GLY A  90;GLY A 304;ASP A  75","None;None;None;AUI A 502 (-3.5A);None","1.08A","4mm9A-3wecA:undetectable","4mm8A-3wecA:23.29"],["4U15_A_0HKA2001_1","MUSCARINIC ACETYLCHOLINE RECEPTOR M3,LYSOZYME,MUSCARINIC ACETYLCHOLINE RECEPTOR M3","3wec","CYTOCHROME P450","Rhodococcus erythropolis",5,"TYR A 354;SER A 351;THR A 258;THR A 257;ALA A 300","HEM A 501 (-4.4A);None;HEM A 501 (-3.9A);HEM A 501 (-3.5A);AUI A 502 ( 3.7A)","1.22A","4u15A-3wecA:undetectable","4mm9A-3wecA:23.29"],["4U15_B_0HKB1201_1","MUSCARINIC ACETYLCHOLINE RECEPTOR M3,LYSOZYME,MUSCARINIC ACETYLCHOLINE RECEPTOR M3","3wec","CYTOCHROME P450","Rhodococcus erythropolis",5,"TYR A 354;SER A 351;THR A 258;THR A 257;ALA A 300","HEM A 501 (-4.4A);None;HEM A 501 (-3.9A);HEM A 501 (-3.5A);AUI A 502 ( 3.7A)","1.28A","4u15B-3wecA:undetectable","4u15A-3wecA:23.24"]]