SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1JJ'

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 (%)
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2BNN_A_FCNA1199_1 (EPOXIDASE)	4j1x	EPOXIDASE (Streptomyces wedmorensis)	8 / 9	ARG A 97 TYR A 105 LEU A 120 ASN A 135 HIS A 138 GLU A 142 HIS A 180 ALA A 195	1JJ A 202 (-3.2A) 1JJ A 202 (-4.9A) None 1JJ A 202 (-3.7A) FE2 A 201 ( 3.3A) 1JJ A 202 ( 2.5A) FE2 A 201 ( 3.4A) 1JJ A 202 ( 4.4A)	0.39A	2bnnA-4j1xA: 25.5 2bnnB-4j1xA: 24.1	2bnnA-4j1xA: 100.00 2bnnB-4j1xA: 100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2BNN_B_FCNB1199_1 (EPOXIDASE)	4j1x	EPOXIDASE (Streptomyces wedmorensis)	4 / 8	TYR A 103 HIS A 138 GLU A 142 ALA A 195	1JJ A 202 (-4.2A) FE2 A 201 ( 3.3A) 1JJ A 202 ( 2.5A) 1JJ A 202 ( 4.4A)	0.72A	2bnnA-4j1xA: 25.5 2bnnB-4j1xA: 24.1	2bnnA-4j1xA: 100.00 2bnnB-4j1xA: 100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2BNN_B_FCNB1199_1 (EPOXIDASE)	4j1x	EPOXIDASE (Streptomyces wedmorensis)	7 / 8	TYR A 105 LEU A 120 ASN A 135 HIS A 138 GLU A 142 HIS A 180 ALA A 195	1JJ A 202 (-4.9A) None 1JJ A 202 (-3.7A) FE2 A 201 ( 3.3A) 1JJ A 202 ( 2.5A) FE2 A 201 ( 3.4A) 1JJ A 202 ( 4.4A)	0.44A	2bnnA-4j1xA: 25.5 2bnnB-4j1xA: 24.1	2bnnA-4j1xA: 100.00 2bnnB-4j1xA: 100.00
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.	4A7B_B_HAEB1270_1 (COLLAGENASE 3)	4j1x	EPOXIDASE (Streptomyces wedmorensis)	4 / 5	LEU A 120 HIS A 180 GLU A 142 HIS A 138	None FE2 A 201 ( 3.4A) 1JJ A 202 ( 2.5A) FE2 A 201 ( 3.3A)	1.38A	4a7bB-4j1xA: undetectable	4a7bB-4j1xA: 21.95

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["2BNN_A_FCNA1199_1","EPOXIDASE;EPOXIDASE","4j1x","EPOXIDASE","Streptomyces wedmorensis",8,"ARG A  97;TYR A 105;LEU A 120;ASN A 135;HIS A 138;GLU A 142;HIS A 180;ALA A 195","1JJ A 202 (-3.2A);1JJ A 202 (-4.9A);None;1JJ A 202 (-3.7A);FE2 A 201 ( 3.3A);1JJ A 202 ( 2.5A);FE2 A 201 ( 3.4A);1JJ A 202 ( 4.4A)","0.39A","2bnnA-4j1xA:25.5;2bnnB-4j1xA:24.1",null],["2BNN_B_FCNB1199_1","EPOXIDASE;EPOXIDASE","4j1x","EPOXIDASE","Streptomyces wedmorensis",4,"TYR A 103;HIS A 138;GLU A 142;ALA A 195","1JJ A 202 (-4.2A);FE2 A 201 ( 3.3A);1JJ A 202 ( 2.5A);1JJ A 202 ( 4.4A)","0.72A","2bnnA-4j1xA:25.5;2bnnB-4j1xA:24.1","2bnnA-4j1xA:100.00;2bnnB-4j1xA:100.00"],["2BNN_B_FCNB1199_1","EPOXIDASE;EPOXIDASE","4j1x","EPOXIDASE","Streptomyces wedmorensis",7,"TYR A 105;LEU A 120;ASN A 135;HIS A 138;GLU A 142;HIS A 180;ALA A 195","1JJ A 202 (-4.9A);None;1JJ A 202 (-3.7A);FE2 A 201 ( 3.3A);1JJ A 202 ( 2.5A);FE2 A 201 ( 3.4A);1JJ A 202 ( 4.4A)","0.44A","2bnnA-4j1xA:25.5;2bnnB-4j1xA:24.1","2bnnA-4j1xA:100.00;2bnnB-4j1xA:100.00"],["4A7B_B_HAEB1270_1","COLLAGENASE 3","4j1x","EPOXIDASE","Streptomyces wedmorensis",4,"LEU A 120;HIS A 180;GLU A 142;HIS A 138","None;FE2 A 201 ( 3.4A);1JJ A 202 ( 2.5A);FE2 A 201 ( 3.3A)","1.38A","4a7bB-4j1xA:undetectable","2bnnA-4j1xA:100.00;2bnnB-4j1xA:100.00"]]