SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3ir3'

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.	1HPV_B_478B200_2 (HIV-1 PROTEASE)	3ir3	3-HYDROXYACYL-THIOES TER DEHYDRATASE 2 (Homo sapiens)	5 / 9	ALA A 128 GLY A 156 ILE A 112 VAL A 160 ILE A 140	None	1.10A	1hpvB-3ir3A: undetectable	1hpvB-3ir3A: 22.61
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.	2HS2_A_017A201_2 (PROTEASE)	3ir3	3-HYDROXYACYL-THIOES TER DEHYDRATASE 2 (Homo sapiens)	5 / 12	ALA A 128 GLY A 156 ILE A 112 VAL A 160 ILE A 140	None	1.01A	2hs2B-3ir3A: undetectable	2hs2B-3ir3A: 19.73
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.	3IHZ_A_FK5A501_2 (70 KDA PEPTIDYLPROLYL ISOMERASE, PUTATIVE)	3ir3	3-HYDROXYACYL-THIOES TER DEHYDRATASE 2 (Homo sapiens)	4 / 8	PHE A 48 GLY A 156 SER A 113 ILE A 112	None	0.89A	3ihzB-3ir3A: undetectable	3ihzB-3ir3A: 22.89
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.	3NDW_A_RITA100_2 (PROTEASE)	3ir3	3-HYDROXYACYL-THIOES TER DEHYDRATASE 2 (Homo sapiens)	5 / 9	ALA A 128 GLY A 156 ILE A 112 VAL A 160 ILE A 140	None	1.12A	3ndwB-3ir3A: undetectable	3ndwB-3ir3A: 20.13

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1HPV_B_478B200_2","HIV-1 PROTEASE","3ir3","3-HYDROXYACYL-THIOESTER DEHYDRATASE 2","Homo sapiens",5,"ALA A 128;GLY A 156;ILE A 112;VAL A 160;ILE A 140","None","1.10A","1hpvB-3ir3A:undetectable","1hpvB-3ir3A:22.61"],["2HS2_A_017A201_2","PROTEASE;PROTEASE","3ir3","3-HYDROXYACYL-THIOESTER DEHYDRATASE 2","Homo sapiens",5,"ALA A 128;GLY A 156;ILE A 112;VAL A 160;ILE A 140","None","1.01A","2hs2B-3ir3A:undetectable","2hs2B-3ir3A:19.73"],["3IHZ_A_FK5A501_2","70 KDA PEPTIDYLPROLYL ISOMERASE, PUTATIVE;70 KDA PEPTIDYLPROLYL ISOMERASE, PUTATIVE","3ir3","3-HYDROXYACYL-THIOESTER DEHYDRATASE 2","Homo sapiens",4,"PHE A  48;GLY A 156;SER A 113;ILE A 112","None","0.89A","3ihzB-3ir3A:undetectable","3ihzB-3ir3A:22.89"],["3NDW_A_RITA100_2","PROTEASE;PROTEASE","3ir3","3-HYDROXYACYL-THIOESTER DEHYDRATASE 2","Homo sapiens",5,"ALA A 128;GLY A 156;ILE A 112;VAL A 160;ILE A 140","None","1.12A","3ndwB-3ir3A:undetectable","3ndwB-3ir3A:20.13"]]