SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'NQI'

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.	1WG8_A_SAMA3142_0 (PREDICTED S-ADENOSYLMETHIONINE -DEPENDENT METHYLTRANSFERASE)	2nqi	CALPAIN-1 CATALYTIC SUBUNIT (Rattus norvegicus)	5 / 12	THR A 210 GLY A 208 GLY A 207 GLY A 113 PHE A 214	None NQI A 501 (-3.8A) NQI A 501 (-3.2A) NQI A 501 (-3.1A) None	1.12A	1wg8A-2nqiA: undetectable	1wg8A-2nqiA: 22.82
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.	1WG8_B_SAMB3141_0 (PREDICTED S-ADENOSYLMETHIONINE -DEPENDENT METHYLTRANSFERASE)	2nqi	CALPAIN-1 CATALYTIC SUBUNIT (Rattus norvegicus)	5 / 12	THR A 210 GLY A 208 GLY A 207 GLY A 113 PHE A 214	None NQI A 501 (-3.8A) NQI A 501 (-3.2A) NQI A 501 (-3.1A) None	1.12A	1wg8B-2nqiA: undetectable	1wg8B-2nqiA: 22.82
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.	3AI8_A_HNQA255_1 (CATHEPSIN B)	2nqi	CALPAIN-1 CATALYTIC SUBUNIT (Rattus norvegicus)	4 / 7	GLN A 109 GLY A 113 HIS A 272 TRP A 298	NQI A 501 (-3.2A) NQI A 501 (-3.1A) NQI A 501 (-4.0A) NQI A 501 (-3.9A)	0.52A	3ai8A-2nqiA: 4.7	3ai8A-2nqiA: 19.71
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.	3L35_H_DHIH3_0 (GP41 N-PEPTIDE HIV ENTRY INHIBITOR PIE12)	2nqi	CALPAIN-1 CATALYTIC SUBUNIT (Rattus norvegicus)	3 / 3	LEU A 118 TRP A 116 GLY A 207	None None NQI A 501 (-3.2A)	0.79A	3l35A-2nqiA: undetectable 3l35H-2nqiA: undetectable	3l35A-2nqiA: 10.09 3l35H-2nqiA: 2.74
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.	4UW0_A_SAMA1506_0 (WBDD)	2nqi	CALPAIN-1 CATALYTIC SUBUNIT (Rattus norvegicus)	5 / 12	GLY A 249 ALA A 273 PHE A 345 VAL A 276 ILE A 292	None NQI A 501 (-3.7A) None None None	1.00A	4uw0A-2nqiA: undetectable	4uw0A-2nqiA: 20.55

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1WG8_A_SAMA3142_0","PREDICTED S-ADENOSYLMETHIONINE-DEPENDENT METHYLTRANSFERASE","2nqi","CALPAIN-1 CATALYTIC SUBUNIT","Rattus norvegicus",5,"THR A 210;GLY A 208;GLY A 207;GLY A 113;PHE A 214","None;NQI A 501 (-3.8A);NQI A 501 (-3.2A);NQI A 501 (-3.1A);None","1.12A","1wg8A-2nqiA:undetectable",null],["1WG8_B_SAMB3141_0","PREDICTED S-ADENOSYLMETHIONINE-DEPENDENT METHYLTRANSFERASE","2nqi","CALPAIN-1 CATALYTIC SUBUNIT","Rattus norvegicus",5,"THR A 210;GLY A 208;GLY A 207;GLY A 113;PHE A 214","None;NQI A 501 (-3.8A);NQI A 501 (-3.2A);NQI A 501 (-3.1A);None","1.12A","1wg8B-2nqiA:undetectable","1wg8A-2nqiA:22.82"],["3AI8_A_HNQA255_1","CATHEPSIN B","2nqi","CALPAIN-1 CATALYTIC SUBUNIT","Rattus norvegicus",4,"GLN A 109;GLY A 113;HIS A 272;TRP A 298","NQI A 501 (-3.2A);NQI A 501 (-3.1A);NQI A 501 (-4.0A);NQI A 501 (-3.9A)","0.52A","3ai8A-2nqiA:4.7","1wg8B-2nqiA:22.82"],["3L35_H_DHIH3_0","GP41 N-PEPTIDE;HIV ENTRY INHIBITOR PIE12","2nqi","CALPAIN-1 CATALYTIC SUBUNIT","Rattus norvegicus",3,"LEU A 118;TRP A 116;GLY A 207","None;None;NQI A 501 (-3.2A)","0.79A","3l35A-2nqiA:undetectable;3l35H-2nqiA:undetectable","3ai8A-2nqiA:19.71"],["4UW0_A_SAMA1506_0","WBDD","2nqi","CALPAIN-1 CATALYTIC SUBUNIT","Rattus norvegicus",5,"GLY A 249;ALA A 273;PHE A 345;VAL A 276;ILE A 292","None;NQI A 501 (-3.7A);None;None;None","1.00A","4uw0A-2nqiA:undetectable","3l35A-2nqiA:10.09;3l35H-2nqiA:2.74"]]