SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4d01'

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.	1AXW_B_MTXB733_1 (THYMIDYLATE SYNTHASE)	4d01	NEURONAL ACETYLCHOLINE RECEPTOR SUBUNIT ALPHA-9 (Homo sapiens)	5 / 11	ILE A 80 ASP A 64 LEU A 67 GLY A 116 VAL A 87	None	1.50A	1axwB-4d01A: undetectable	1axwB-4d01A: 21.90
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.	2PH9_A_GNTA301_1 (SOLUBLE ACETYLCHOLINE RECEPTOR)	4d01	NEURONAL ACETYLCHOLINE RECEPTOR SUBUNIT ALPHA-9 (Homo sapiens)	4 / 7	TYR A 95 TRP A 151 TYR A 192 TYR A 199	EDO A1220 ( 4.1A) None None EDO A1220 (-3.8A)	0.59A	2ph9A-4d01A: 21.3 2ph9B-4d01A: 22.7	2ph9A-4d01A: 26.47 2ph9B-4d01A: 26.47
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.	2XYT_H_TC9H1206_1 (SOLUBLE ACETYLCHOLINE RECEPTOR)	4d01	NEURONAL ACETYLCHOLINE RECEPTOR SUBUNIT ALPHA-9 (Homo sapiens)	4 / 7	TYR A 95 TRP A 151 GLU A 197 TYR A 199	EDO A1220 ( 4.1A) None None EDO A1220 (-3.8A)	0.77A	2xytH-4d01A: 23.1	2xytH-4d01A: 27.56
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.	3BJW_A_SVRA508_2 (PHOSPHOLIPASE A2)	4d01	NEURONAL ACETYLCHOLINE RECEPTOR SUBUNIT ALPHA-9 (Homo sapiens)	5 / 9	VAL A 30 VAL A 158 GLY A 155 PRO A 198 LYS A 29	None	1.49A	3bjwG-4d01A: undetectable	3bjwG-4d01A: 19.19
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.	3BJW_C_SVRC505_1 (PHOSPHOLIPASE A2)	4d01	NEURONAL ACETYLCHOLINE RECEPTOR SUBUNIT ALPHA-9 (Homo sapiens)	5 / 10	VAL A 30 VAL A 158 GLY A 155 PRO A 198 LYS A 29	None	1.47A	3bjwD-4d01A: undetectable	3bjwD-4d01A: 19.19
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.	3CO4_A_GCSA401_1 (CHITINASE)	4d01	NEURONAL ACETYLCHOLINE RECEPTOR SUBUNIT ALPHA-9 (Homo sapiens)	3 / 3	GLU A 179 HIS A 213 HIS A 215	None	0.88A	3co4A-4d01A: undetectable	3co4A-4d01A: 23.25

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1AXW_B_MTXB733_1","THYMIDYLATE SYNTHASE","4d01","NEURONAL ACETYLCHOLINE RECEPTOR SUBUNIT ALPHA-9","Homo sapiens",5,"ILE A  80;ASP A  64;LEU A  67;GLY A 116;VAL A  87","None","1.50A","1axwB-4d01A:undetectable","1axwB-4d01A:21.90"],["2PH9_A_GNTA301_1","SOLUBLE ACETYLCHOLINE RECEPTOR;SOLUBLE ACETYLCHOLINE RECEPTOR","4d01","NEURONAL ACETYLCHOLINE RECEPTOR SUBUNIT ALPHA-9","Homo sapiens",4,"TYR A  95;TRP A 151;TYR A 192;TYR A 199","EDO A1220 ( 4.1A);None;None;EDO A1220 (-3.8A)","0.59A","2ph9A-4d01A:21.3;2ph9B-4d01A:22.7","2ph9A-4d01A:26.47;2ph9B-4d01A:26.47"],["2XYT_H_TC9H1206_1","SOLUBLE ACETYLCHOLINE RECEPTOR","4d01","NEURONAL ACETYLCHOLINE RECEPTOR SUBUNIT ALPHA-9","Homo sapiens",4,"TYR A  95;TRP A 151;GLU A 197;TYR A 199","EDO A1220 ( 4.1A);None;None;EDO A1220 (-3.8A)","0.77A","2xytH-4d01A:23.1","2xytH-4d01A:27.56"],["3BJW_A_SVRA508_2","PHOSPHOLIPASE A2;PHOSPHOLIPASE A2","4d01","NEURONAL ACETYLCHOLINE RECEPTOR SUBUNIT ALPHA-9","Homo sapiens",5,"VAL A  30;VAL A 158;GLY A 155;PRO A 198;LYS A  29","None","1.49A","3bjwG-4d01A:undetectable","3bjwG-4d01A:19.19"],["3BJW_C_SVRC505_1","PHOSPHOLIPASE A2;PHOSPHOLIPASE A2","4d01","NEURONAL ACETYLCHOLINE RECEPTOR SUBUNIT ALPHA-9","Homo sapiens",5,"VAL A  30;VAL A 158;GLY A 155;PRO A 198;LYS A  29","None","1.47A","3bjwD-4d01A:undetectable","3bjwD-4d01A:19.19"],["3CO4_A_GCSA401_1","CHITINASE","4d01","NEURONAL ACETYLCHOLINE RECEPTOR SUBUNIT ALPHA-9","Homo sapiens",3,"GLU A 179;HIS A 213;HIS A 215","None","0.88A","3co4A-4d01A:undetectable","3co4A-4d01A:23.25"]]