SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '8N1'

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.	1JR1_A_MOAA1332_1 (INOSINE-5'-MONOPHOSP HATE DEHYDROGENASE 2)	5uuw	INOSINE-5'-MONOPHOSP HATE DEHYDROGENASE (Bacillus anthracis)	5 / 11	ASN A 280 GLY A 303 CYH A 308 THR A 310 GLY A 392	IMP A 501 (-4.1A) K A 507 (-4.8A) IMP A 501 ( 3.2A) 8N1 A 502 (-3.9A) IMP A 501 ( 3.2A)	0.38A	1jr1A-5uuwA: 50.7	1jr1A-5uuwA: 31.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1JR1_A_MOAA1332_1 (INOSINE-5'-MONOPHOSP HATE DEHYDROGENASE 2)	5uuw	INOSINE-5'-MONOPHOSP HATE DEHYDROGENASE (Bacillus anthracis)	5 / 11	ASP A 251 GLY A 303 CYH A 308 THR A 310 GLY A 392	None K A 507 (-4.8A) IMP A 501 ( 3.2A) 8N1 A 502 (-3.9A) IMP A 501 ( 3.2A)	0.72A	1jr1A-5uuwA: 50.7	1jr1A-5uuwA: 31.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1JR1_B_MOAB1333_1 (INOSINE-5'-MONOPHOSP HATE DEHYDROGENASE 2)	5uuw	INOSINE-5'-MONOPHOSP HATE DEHYDROGENASE (Bacillus anthracis)	4 / 8	ASN A 280 GLY A 303 THR A 310 GLY A 392	IMP A 501 (-4.1A) K A 507 (-4.8A) 8N1 A 502 (-3.9A) IMP A 501 ( 3.2A)	0.29A	1jr1B-5uuwA: 50.5	1jr1B-5uuwA: 31.72
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.	1PHG_A_MYTA422_1 (CYTOCHROME P450-CAM)	5uuw	INOSINE-5'-MONOPHOSP HATE DEHYDROGENASE (Bacillus anthracis)	5 / 11	LEU A 290 GLY A 279 THR A 252 ASP A 262 VAL A 229	None None 8N1 A 502 (-2.9A) None None	1.19A	1phgA-5uuwA: undetectable	1phgA-5uuwA: 22.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4FO4_A_MOAA502_1 (INOSINE 5'-MONOPHOSPHATE DEHYDROGENASE)	5uuw	INOSINE-5'-MONOPHOSP HATE DEHYDROGENASE (Bacillus anthracis)	5 / 8	ASN A 280 CYH A 308 THR A 310 MET A 391 GLY A 392	IMP A 501 (-4.1A) IMP A 501 ( 3.2A) 8N1 A 502 (-3.9A) None IMP A 501 ( 3.2A)	0.23A	4fo4A-5uuwA: 56.3	4fo4A-5uuwA: 63.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4FO4_B_MOAB502_1 (INOSINE 5'-MONOPHOSPHATE DEHYDROGENASE)	5uuw	INOSINE-5'-MONOPHOSP HATE DEHYDROGENASE (Bacillus anthracis)	6 / 8	ASN A 280 GLY A 303 CYH A 308 THR A 310 MET A 391 GLY A 392	IMP A 501 (-4.1A) K A 507 (-4.8A) IMP A 501 ( 3.2A) 8N1 A 502 (-3.9A) None IMP A 501 ( 3.2A)	0.24A	4fo4B-5uuwA: 52.6	4fo4B-5uuwA: 63.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4FXS_A_MOAA702_1 (INOSINE-5'-MONOPHOSP HATE DEHYDROGENASE)	5uuw	INOSINE-5'-MONOPHOSP HATE DEHYDROGENASE (Bacillus anthracis)	7 / 9	ASP A 251 ASN A 280 ILE A 302 GLY A 303 CYH A 308 THR A 310 ASP A 341	None IMP A 501 (-4.1A) None K A 507 (-4.8A) IMP A 501 ( 3.2A) 8N1 A 502 (-3.9A) IMP A 501 (-2.4A)	0.38A	4fxsA-5uuwA: 55.2	4fxsA-5uuwA: 45.31

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1JR1_A_MOAA1332_1","INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE 2","5uuw","INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE","Bacillus anthracis",5,"ASN A 280;GLY A 303;CYH A 308;THR A 310;GLY A 392","IMP A 501 (-4.1A);  K A 507 (-4.8A);IMP A 501 ( 3.2A);8N1 A 502 (-3.9A);IMP A 501 ( 3.2A)","0.38A","1jr1A-5uuwA:50.7",null],["1JR1_A_MOAA1332_1","INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE 2","5uuw","INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE","Bacillus anthracis",5,"ASP A 251;GLY A 303;CYH A 308;THR A 310;GLY A 392","None;  K A 507 (-4.8A);IMP A 501 ( 3.2A);8N1 A 502 (-3.9A);IMP A 501 ( 3.2A)","0.72A","1jr1A-5uuwA:50.7","1jr1A-5uuwA:31.72"],["1JR1_B_MOAB1333_1","INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE 2","5uuw","INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE","Bacillus anthracis",4,"ASN A 280;GLY A 303;THR A 310;GLY A 392","IMP A 501 (-4.1A);  K A 507 (-4.8A);8N1 A 502 (-3.9A);IMP A 501 ( 3.2A)","0.29A","1jr1B-5uuwA:50.5","1jr1A-5uuwA:31.72"],["1PHG_A_MYTA422_1","CYTOCHROME P450-CAM","5uuw","INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE","Bacillus anthracis",5,"LEU A 290;GLY A 279;THR A 252;ASP A 262;VAL A 229","None;None;8N1 A 502 (-2.9A);None;None","1.19A","1phgA-5uuwA:undetectable","1jr1B-5uuwA:31.72"],["4FO4_A_MOAA502_1","INOSINE 5'-MONOPHOSPHATE DEHYDROGENASE","5uuw","INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE","Bacillus anthracis",5,"ASN A 280;CYH A 308;THR A 310;MET A 391;GLY A 392","IMP A 501 (-4.1A);IMP A 501 ( 3.2A);8N1 A 502 (-3.9A);None;IMP A 501 ( 3.2A)","0.23A","4fo4A-5uuwA:56.3","1phgA-5uuwA:22.13"],["4FO4_B_MOAB502_1","INOSINE 5'-MONOPHOSPHATE DEHYDROGENASE","5uuw","INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE","Bacillus anthracis",6,"ASN A 280;GLY A 303;CYH A 308;THR A 310;MET A 391;GLY A 392","IMP A 501 (-4.1A);  K A 507 (-4.8A);IMP A 501 ( 3.2A);8N1 A 502 (-3.9A);None;IMP A 501 ( 3.2A)","0.24A","4fo4B-5uuwA:52.6","4fo4A-5uuwA:63.56"],["4FXS_A_MOAA702_1","INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE","5uuw","INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE","Bacillus anthracis",7,"ASP A 251;ASN A 280;ILE A 302;GLY A 303;CYH A 308;THR A 310;ASP A 341","None;IMP A 501 (-4.1A);None;  K A 507 (-4.8A);IMP A 501 ( 3.2A);8N1 A 502 (-3.9A);IMP A 501 (-2.4A)","0.38A","4fxsA-5uuwA:55.2","4fo4B-5uuwA:63.56"]]