SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4wq3'

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.	3A9E_B_REAB1_1 (RETINOIC ACID RECEPTOR ALPHA)	4wq3	CALPAIN SMALL SUBUNIT 1 (Homo sapiens)	5 / 11	LEU A 124 ARG A 130 PHE A 226 VAL A 234 LEU A 233	3SU A 306 (-4.3A) 3SU A 305 (-3.3A) None None None	1.36A	3a9eB-4wq3A: undetectable	3a9eB-4wq3A: 18.82
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.	4MWV_A_BCZA513_1 (NEURAMINIDASE)	4wq3	CALPAIN SMALL SUBUNIT 1 (Homo sapiens)	3 / 3	ARG A 99 GLU A 97 ARG A 103	None	0.85A	4mwvA-4wq3A: undetectable	4mwvA-4wq3A: 17.56
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.	4XMF_A_HSMA202_1 (NITROPHORIN-7)	4wq3	CALPAIN SMALL SUBUNIT 1 (Homo sapiens)	3 / 3	ASP A 154 LEU A 159 GLY A 160	CA A 302 (-2.8A) None CA A 302 ( 4.9A)	0.54A	4xmfA-4wq3A: undetectable	4xmfA-4wq3A: 23.20
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.	6F88_A_STRA502_1 (CYTOCHROME P450 CYP260A1)	4wq3	CALPAIN SMALL SUBUNIT 1 (Homo sapiens)	4 / 6	PHE A 105 ALA A 109 SER A 116 THR A 156	None CA A 301 (-4.7A) CA A 301 ( 4.9A) CA A 302 (-3.0A)	0.80A	6f88A-4wq3A: undetectable	6f88A-4wq3A: 17.92

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["3A9E_B_REAB1_1","RETINOIC ACID RECEPTOR ALPHA","4wq3","CALPAIN SMALL SUBUNIT 1","Homo sapiens",5,"LEU A 124;ARG A 130;PHE A 226;VAL A 234;LEU A 233","3SU A 306 (-4.3A);3SU A 305 (-3.3A);None;None;None","1.36A","3a9eB-4wq3A:undetectable","3a9eB-4wq3A:18.82"],["4MWV_A_BCZA513_1","NEURAMINIDASE","4wq3","CALPAIN SMALL SUBUNIT 1","Homo sapiens",3,"ARG A  99;GLU A  97;ARG A 103","None","0.85A","4mwvA-4wq3A:undetectable","4mwvA-4wq3A:17.56"],["4XMF_A_HSMA202_1","NITROPHORIN-7","4wq3","CALPAIN SMALL SUBUNIT 1","Homo sapiens",3,"ASP A 154;LEU A 159;GLY A 160"," CA A 302 (-2.8A);None; CA A 302 ( 4.9A)","0.54A","4xmfA-4wq3A:undetectable","4xmfA-4wq3A:23.20"],["6F88_A_STRA502_1","CYTOCHROME P450 CYP260A1","4wq3","CALPAIN SMALL SUBUNIT 1","Homo sapiens",4,"PHE A 105;ALA A 109;SER A 116;THR A 156","None; CA A 301 (-4.7A); CA A 301 ( 4.9A); CA A 302 (-3.0A)","0.80A","6f88A-4wq3A:undetectable","6f88A-4wq3A:17.92"]]