SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2rld'

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.	3RUK_A_AERA601_1 (STEROID 17-ALPHA-HYDROXYLASE /17,20 LYASE)	2rld	UNCHARACTERIZED PROTEIN (Bacteroides thetaiotaomicron)	5 / 12	TYR A 96 ASN A 100 ILE A 99 ALA A 75 VAL A 10	None	1.06A	3rukA-2rldA: undetectable	3rukA-2rldA: 12.65
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.	3RUK_D_AERD601_1 (STEROID 17-ALPHA-HYDROXYLASE /17,20 LYASE)	2rld	UNCHARACTERIZED PROTEIN (Bacteroides thetaiotaomicron)	5 / 11	TYR A 96 ASN A 100 ILE A 99 ALA A 75 VAL A 10	None	1.10A	3rukD-2rldA: undetectable	3rukD-2rldA: 12.65
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.	4D33_A_MTLA870_0 (NITRIC OXIDE SYNTHASE, ENDOTHELIAL)	2rld	UNCHARACTERIZED PROTEIN (Bacteroides thetaiotaomicron)	4 / 8	ASN A 107 GLU A 105 ILE A 106 ASP A 102	None	1.11A	4d33A-2rldA: undetectable	4d33A-2rldA: 14.22
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.	4D33_B_MTLB870_0 (NITRIC OXIDE SYNTHASE, ENDOTHELIAL)	2rld	UNCHARACTERIZED PROTEIN (Bacteroides thetaiotaomicron)	4 / 7	ASN A 107 GLU A 105 ILE A 106 ASP A 102	None	1.13A	4d33B-2rldA: undetectable	4d33B-2rldA: 14.22
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.	4D39_B_MTLB870_0 (NITRIC OXIDE SYNTHASE, ENDOTHELIAL)	2rld	UNCHARACTERIZED PROTEIN (Bacteroides thetaiotaomicron)	4 / 7	ASN A 107 GLU A 105 ILE A 106 ASP A 102	None	1.12A	4d39B-2rldA: undetectable	4d39B-2rldA: 14.22

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["3RUK_A_AERA601_1","STEROID 17-ALPHA-HYDROXYLASE\/17,20 LYASE","2rld","UNCHARACTERIZED PROTEIN","Bacteroides thetaiotaomicron",5,"TYR A  96;ASN A 100;ILE A  99;ALA A  75;VAL A  10","None","1.06A","3rukA-2rldA:undetectable","3rukA-2rldA:12.65"],["3RUK_D_AERD601_1","STEROID 17-ALPHA-HYDROXYLASE\/17,20 LYASE","2rld","UNCHARACTERIZED PROTEIN","Bacteroides thetaiotaomicron",5,"TYR A  96;ASN A 100;ILE A  99;ALA A  75;VAL A  10","None","1.10A","3rukD-2rldA:undetectable","3rukD-2rldA:12.65"],["4D33_A_MTLA870_0","NITRIC OXIDE SYNTHASE, ENDOTHELIAL","2rld","UNCHARACTERIZED PROTEIN","Bacteroides thetaiotaomicron",4,"ASN A 107;GLU A 105;ILE A 106;ASP A 102","None","1.11A","4d33A-2rldA:undetectable","4d33A-2rldA:14.22"],["4D33_B_MTLB870_0","NITRIC OXIDE SYNTHASE, ENDOTHELIAL","2rld","UNCHARACTERIZED PROTEIN","Bacteroides thetaiotaomicron",4,"ASN A 107;GLU A 105;ILE A 106;ASP A 102","None","1.13A","4d33B-2rldA:undetectable","4d33B-2rldA:14.22"],["4D39_B_MTLB870_0","NITRIC OXIDE SYNTHASE, ENDOTHELIAL","2rld","UNCHARACTERIZED PROTEIN","Bacteroides thetaiotaomicron",4,"ASN A 107;GLU A 105;ILE A 106;ASP A 102","None","1.12A","4d39B-2rldA:undetectable","4d39B-2rldA:14.22"]]