SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4FE'

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.	3S68_A_TCWA227_1 (CATECHOL O-METHYLTRANSFERASE)	3cbg	O-METHYLTRANSFERASE (Synechocystis sp. PCC 6803)	5 / 10	MET A 42 ASP A 143 LYS A 146 ASP A 169 ASN A 170	FER A 501 (-3.7A) MG A 401 ( 2.7A) 4FE A 502 ( 2.6A) MG A 401 (-3.4A) MG A 401 (-2.5A)	0.36A	3s68A-3cbgA: 21.6	3s68A-3cbgA: 25.51
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.	4PYL_A_TCWA303_1 (CATECHOL O-METHYLTRANSFERASE)	3cbg	O-METHYLTRANSFERASE (Synechocystis sp. PCC 6803)	5 / 10	MET A 42 ASP A 143 LYS A 146 ASP A 169 ASN A 170	FER A 501 (-3.7A) MG A 401 ( 2.7A) 4FE A 502 ( 2.6A) MG A 401 (-3.4A) MG A 401 (-2.5A)	0.31A	4pylA-3cbgA: 22.2	4pylA-3cbgA: 25.51
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.	4QZU_D_ACTD201_0 (RETINOL-BINDING PROTEIN 2)	3cbg	O-METHYLTRANSFERASE (Synechocystis sp. PCC 6803)	3 / 3	ASP A 212 HIS A 174 LYS A 3	None 4FE A 502 ( 4.3A) None	0.90A	4qzuD-3cbgA: undetectable	4qzuD-3cbgA: 17.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5LOG_A_LDPA1004_1 (PUTATIVE O-METHYLTRANSFERASE)	3cbg	O-METHYLTRANSFERASE (Synechocystis sp. PCC 6803)	6 / 6	MET A 42 ASP A 143 LYS A 146 ASP A 169 ASN A 170 TRP A 173	FER A 501 (-3.7A) MG A 401 ( 2.7A) 4FE A 502 ( 2.6A) MG A 401 (-3.4A) MG A 401 (-2.5A) None	0.34A	5logA-3cbgA: 31.8	5logA-3cbgA: 46.44

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["3S68_A_TCWA227_1","CATECHOL O-METHYLTRANSFERASE","3cbg","O-METHYLTRANSFERASE","Synechocystis sp. PCC 6803",5,"MET A  42;ASP A 143;LYS A 146;ASP A 169;ASN A 170","FER A 501 (-3.7A); MG A 401 ( 2.7A);4FE A 502 ( 2.6A); MG A 401 (-3.4A); MG A 401 (-2.5A)","0.36A","3s68A-3cbgA:21.6",null],["4PYL_A_TCWA303_1","CATECHOL O-METHYLTRANSFERASE","3cbg","O-METHYLTRANSFERASE","Synechocystis sp. PCC 6803",5,"MET A  42;ASP A 143;LYS A 146;ASP A 169;ASN A 170","FER A 501 (-3.7A); MG A 401 ( 2.7A);4FE A 502 ( 2.6A); MG A 401 (-3.4A); MG A 401 (-2.5A)","0.31A","4pylA-3cbgA:22.2","3s68A-3cbgA:25.51"],["4QZU_D_ACTD201_0","RETINOL-BINDING PROTEIN 2","3cbg","O-METHYLTRANSFERASE","Synechocystis sp. PCC 6803",3,"ASP A 212;HIS A 174;LYS A   3","None;4FE A 502 ( 4.3A);None","0.90A","4qzuD-3cbgA:undetectable","4pylA-3cbgA:25.51"],["5LOG_A_LDPA1004_1","PUTATIVE O-METHYLTRANSFERASE","3cbg","O-METHYLTRANSFERASE","Synechocystis sp. PCC 6803",6,"MET A  42;ASP A 143;LYS A 146;ASP A 169;ASN A 170;TRP A 173","FER A 501 (-3.7A); MG A 401 ( 2.7A);4FE A 502 ( 2.6A); MG A 401 (-3.4A); MG A 401 (-2.5A);None","0.34A","5logA-3cbgA:31.8","4qzuD-3cbgA:17.37"]]