SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'EQU'

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.	1E3V_A_DXCA801_0 (STEROID DELTA-ISOMERASE)	3owu	STEROID DELTA-ISOMERASE (Pseudomonas putida)	10 / 12	TYR A 16 PHE A 56 TYR A 57 GLY A 60 VAL A 88 LEU A 99 ASP A 103 MET A 116 ALA A 118 TRP A 120	EQU A 200 (-4.5A) None None EQU A 200 (-4.5A) None None EQU A 200 (-2.9A) EQU A 200 (-4.9A) EQU A 200 ( 4.1A) EQU A 200 (-4.0A)	0.42A	1e3vA-3owuA: 25.2	1e3vA-3owuA: 96.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1E3V_B_DXCB801_0 (STEROID DELTA-ISOMERASE)	3owu	STEROID DELTA-ISOMERASE (Pseudomonas putida)	9 / 11	TYR A 16 PHE A 56 TYR A 57 GLY A 60 LEU A 99 ASP A 103 MET A 116 ALA A 118 TRP A 120	EQU A 200 (-4.5A) None None EQU A 200 (-4.5A) None EQU A 200 (-2.9A) EQU A 200 (-4.9A) EQU A 200 ( 4.1A) EQU A 200 (-4.0A)	0.36A	1e3vB-3owuA: 24.3	1e3vB-3owuA: 96.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1E3V_B_DXCB801_0 (STEROID DELTA-ISOMERASE)	3owu	STEROID DELTA-ISOMERASE (Pseudomonas putida)	5 / 11	TYR A 57 LEU A 99 MET A 116 ALA A 118 TRP A 120	None None EQU A 200 (-4.9A) EQU A 200 ( 4.1A) EQU A 200 (-4.0A)	1.41A	1e3vB-3owuA: 24.3	1e3vB-3owuA: 96.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3NBR_A_ASDA129_1 (STEROID DELTA-ISOMERASE)	3owu	STEROID DELTA-ISOMERASE (Pseudomonas putida)	5 / 12	TYR A 16 ASN A 40 PHE A 56 VAL A 88 MET A 116	EQU A 200 (-4.5A) EQU A 200 (-3.5A) None None EQU A 200 (-4.9A)	0.46A	3nbrA-3owuA: 21.2	3nbrA-3owuA: 34.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3NUV_A_ASDA126_1 (STEROID DELTA-ISOMERASE)	3owu	STEROID DELTA-ISOMERASE (Pseudomonas putida)	5 / 12	ASN A 40 LEU A 61 VAL A 88 MET A 116 ALA A 118	EQU A 200 (-3.5A) None None EQU A 200 (-4.9A) EQU A 200 ( 4.1A)	1.15A	3nuvA-3owuA: 21.9	3nuvA-3owuA: 34.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3NUV_A_ASDA126_1 (STEROID DELTA-ISOMERASE)	3owu	STEROID DELTA-ISOMERASE (Pseudomonas putida)	5 / 12	ASN A 40 PHE A 56 VAL A 88 MET A 116 ALA A 118	EQU A 200 (-3.5A) None None EQU A 200 (-4.9A) EQU A 200 ( 4.1A)	0.88A	3nuvA-3owuA: 21.9	3nuvA-3owuA: 34.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3NUV_A_ASDA126_1 (STEROID DELTA-ISOMERASE)	3owu	STEROID DELTA-ISOMERASE (Pseudomonas putida)	5 / 12	TYR A 16 ASN A 40 PHE A 56 MET A 116 ALA A 118	EQU A 200 (-4.5A) EQU A 200 (-3.5A) None EQU A 200 (-4.9A) EQU A 200 ( 4.1A)	0.52A	3nuvA-3owuA: 21.9	3nuvA-3owuA: 34.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3NUV_B_ASDB126_1 (STEROID DELTA-ISOMERASE)	3owu	STEROID DELTA-ISOMERASE (Pseudomonas putida)	5 / 10	TYR A 16 ASN A 40 LEU A 61 MET A 116 ALA A 118	EQU A 200 (-4.5A) EQU A 200 (-3.5A) None EQU A 200 (-4.9A) EQU A 200 ( 4.1A)	1.29A	3nuvB-3owuA: 21.6	3nuvB-3owuA: 34.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3NUV_B_ASDB126_1 (STEROID DELTA-ISOMERASE)	3owu	STEROID DELTA-ISOMERASE (Pseudomonas putida)	5 / 10	TYR A 16 ASN A 40 VAL A 88 MET A 116 ALA A 118	EQU A 200 (-4.5A) EQU A 200 (-3.5A) None EQU A 200 (-4.9A) EQU A 200 ( 4.1A)	0.89A	3nuvB-3owuA: 21.6	3nuvB-3owuA: 34.85
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.	4DRI_A_RAPA201_1 (PEPTIDYL-PROLYL CIS-TRANS ISOMERASE FKBP5)	3owu	STEROID DELTA-ISOMERASE (Pseudomonas putida)	5 / 11	ASP A 103 GLN A 59 ILE A 53 TYR A 32 ILE A 113	EQU A 200 (-2.9A) None None None None	1.26A	4driA-3owuA: undetectable	4driA-3owuA: 20.00
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.	5OSP_A_ACTA403_0 (CASEIN KINASE II SUBUNIT ALPHA)	3owu	STEROID DELTA-ISOMERASE (Pseudomonas putida)	4 / 7	VAL A 20 ILE A 17 VAL A 88 ALA A 68	EQU A 200 ( 4.9A) None None None	0.65A	5ospA-3owuA: undetectable	5ospA-3owuA: 13.99
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.	5OSR_A_ACTA402_0 (CASEIN KINASE II SUBUNIT ALPHA)	3owu	STEROID DELTA-ISOMERASE (Pseudomonas putida)	4 / 7	VAL A 20 ILE A 17 VAL A 88 ALA A 68	EQU A 200 ( 4.9A) None None None	0.66A	5osrA-3owuA: undetectable	5osrA-3owuA: 13.99
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.	6DJZ_B_GMJB301_1 (SIGMA NON-OPIOID INTRACELLULAR RECEPTOR 1)	3owu	STEROID DELTA-ISOMERASE (Pseudomonas putida)	4 / 6	TYR A 32 ASP A 103 GLN A 117 VAL A 104	None EQU A 200 (-2.9A) None None	1.26A	6djzB-3owuA: undetectable	6djzB-3owuA: 19.42

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1E3V_A_DXCA801_0","STEROID DELTA-ISOMERASE","3owu","STEROID DELTA-ISOMERASE","Pseudomonas putida",10,"TYR A  16;PHE A  56;TYR A  57;GLY A  60;VAL A  88;LEU A  99;ASP A 103;MET A 116;ALA A 118;TRP A 120","EQU A 200 (-4.5A);None;None;EQU A 200 (-4.5A);None;None;EQU A 200 (-2.9A);EQU A 200 (-4.9A);EQU A 200 ( 4.1A);EQU A 200 (-4.0A)","0.42A","1e3vA-3owuA:25.2",null],["1E3V_B_DXCB801_0","STEROID DELTA-ISOMERASE","3owu","STEROID DELTA-ISOMERASE","Pseudomonas putida",9,"TYR A  16;PHE A  56;TYR A  57;GLY A  60;LEU A  99;ASP A 103;MET A 116;ALA A 118;TRP A 120","EQU A 200 (-4.5A);None;None;EQU A 200 (-4.5A);None;EQU A 200 (-2.9A);EQU A 200 (-4.9A);EQU A 200 ( 4.1A);EQU A 200 (-4.0A)","0.36A","1e3vB-3owuA:24.3","1e3vA-3owuA:96.18"],["1E3V_B_DXCB801_0","STEROID DELTA-ISOMERASE","3owu","STEROID DELTA-ISOMERASE","Pseudomonas putida",5,"TYR A  57;LEU A  99;MET A 116;ALA A 118;TRP A 120","None;None;EQU A 200 (-4.9A);EQU A 200 ( 4.1A);EQU A 200 (-4.0A)","1.41A","1e3vB-3owuA:24.3","1e3vB-3owuA:96.18"],["3NBR_A_ASDA129_1","STEROID DELTA-ISOMERASE","3owu","STEROID DELTA-ISOMERASE","Pseudomonas putida",5,"TYR A  16;ASN A  40;PHE A  56;VAL A  88;MET A 116","EQU A 200 (-4.5A);EQU A 200 (-3.5A);None;None;EQU A 200 (-4.9A)","0.46A","3nbrA-3owuA:21.2","1e3vB-3owuA:96.18"],["3NUV_A_ASDA126_1","STEROID DELTA-ISOMERASE","3owu","STEROID DELTA-ISOMERASE","Pseudomonas putida",5,"ASN A  40;LEU A  61;VAL A  88;MET A 116;ALA A 118","EQU A 200 (-3.5A);None;None;EQU A 200 (-4.9A);EQU A 200 ( 4.1A)","1.15A","3nuvA-3owuA:21.9","3nbrA-3owuA:34.09"],["3NUV_A_ASDA126_1","STEROID DELTA-ISOMERASE","3owu","STEROID DELTA-ISOMERASE","Pseudomonas putida",5,"ASN A  40;PHE A  56;VAL A  88;MET A 116;ALA A 118","EQU A 200 (-3.5A);None;None;EQU A 200 (-4.9A);EQU A 200 ( 4.1A)","0.88A","3nuvA-3owuA:21.9","3nuvA-3owuA:34.85"],["3NUV_A_ASDA126_1","STEROID DELTA-ISOMERASE","3owu","STEROID DELTA-ISOMERASE","Pseudomonas putida",5,"TYR A  16;ASN A  40;PHE A  56;MET A 116;ALA A 118","EQU A 200 (-4.5A);EQU A 200 (-3.5A);None;EQU A 200 (-4.9A);EQU A 200 ( 4.1A)","0.52A","3nuvA-3owuA:21.9","3nuvA-3owuA:34.85"],["3NUV_B_ASDB126_1","STEROID DELTA-ISOMERASE","3owu","STEROID DELTA-ISOMERASE","Pseudomonas putida",5,"TYR A  16;ASN A  40;LEU A  61;MET A 116;ALA A 118","EQU A 200 (-4.5A);EQU A 200 (-3.5A);None;EQU A 200 (-4.9A);EQU A 200 ( 4.1A)","1.29A","3nuvB-3owuA:21.6","3nuvA-3owuA:34.85"],["3NUV_B_ASDB126_1","STEROID DELTA-ISOMERASE","3owu","STEROID DELTA-ISOMERASE","Pseudomonas putida",5,"TYR A  16;ASN A  40;VAL A  88;MET A 116;ALA A 118","EQU A 200 (-4.5A);EQU A 200 (-3.5A);None;EQU A 200 (-4.9A);EQU A 200 ( 4.1A)","0.89A","3nuvB-3owuA:21.6","3nuvB-3owuA:34.85"],["4DRI_A_RAPA201_1","PEPTIDYL-PROLYL CIS-TRANS ISOMERASE FKBP5","3owu","STEROID DELTA-ISOMERASE","Pseudomonas putida",5,"ASP A 103;GLN A  59;ILE A  53;TYR A  32;ILE A 113","EQU A 200 (-2.9A);None;None;None;None","1.26A","4driA-3owuA:undetectable","3nuvB-3owuA:34.85"],["5OSP_A_ACTA403_0","CASEIN KINASE II SUBUNIT ALPHA","3owu","STEROID DELTA-ISOMERASE","Pseudomonas putida",4,"VAL A  20;ILE A  17;VAL A  88;ALA A  68","EQU A 200 ( 4.9A);None;None;None","0.65A","5ospA-3owuA:undetectable","4driA-3owuA:20.00"],["5OSR_A_ACTA402_0","CASEIN KINASE II SUBUNIT ALPHA","3owu","STEROID DELTA-ISOMERASE","Pseudomonas putida",4,"VAL A  20;ILE A  17;VAL A  88;ALA A  68","EQU A 200 ( 4.9A);None;None;None","0.66A","5osrA-3owuA:undetectable","5ospA-3owuA:13.99"],["6DJZ_B_GMJB301_1","SIGMA NON-OPIOID INTRACELLULAR RECEPTOR 1","3owu","STEROID DELTA-ISOMERASE","Pseudomonas putida",4,"TYR A  32;ASP A 103;GLN A 117;VAL A 104","None;EQU A 200 (-2.9A);None;None","1.26A","6djzB-3owuA:undetectable","5osrA-3owuA:13.99"]]