SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'NIE'

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.	2C12_C_SPMC1434_1 (NITROALKANE OXIDASE)	3fcj	NITROALKANE OXIDASE (Fusarium oxysporum)	11 / 12	GLN A 61 MET A 70 LEU A 73 GLU A 76 VAL A 95 ALA A 98 LEU A 99 MET A 102 SER A 276 LEU A 279 VAL A 280	None None None None None None NIE A 600 ( 4.9A) None None None None	0.43A	2c12C-3fcjA: 68.3	2c12C-3fcjA: 99.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2C12_F_SPMF1433_1 (NITROALKANE OXIDASE)	3fcj	NITROALKANE OXIDASE (Fusarium oxysporum)	10 / 11	GLN A 61 MET A 70 LEU A 73 GLU A 76 VAL A 95 ALA A 98 LEU A 99 MET A 102 SER A 276 LEU A 279	None None None None None None NIE A 600 ( 4.9A) None None None	0.37A	2c12F-3fcjA: 67.8	2c12F-3fcjA: 99.77
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.	2EJT_A_SAMA501_0 (N(2),N(2)-DIMETHYLGU ANOSINE TRNA METHYLTRANSFERASE)	3fcj	NITROALKANE OXIDASE (Fusarium oxysporum)	5 / 12	LEU A 99 ALA A 129 ILE A 58 ALA A 272 PHE A 273	NIE A 600 ( 4.9A) None None None GOL A 700 (-4.1A)	1.24A	2ejtA-3fcjA: undetectable	2ejtA-3fcjA: 24.28
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.	3TJ7_C_ACTC610_0 (GBAA_1210 PROTEIN)	3fcj	NITROALKANE OXIDASE (Fusarium oxysporum)	3 / 3	ASN A 402 ALA A 277 ARG A 409	NIE A 600 ( 4.1A) None GOL A 700 ( 3.9A)	0.89A	3tj7C-3fcjA: undetectable 3tj7D-3fcjA: undetectable	3tj7C-3fcjA: 18.04 3tj7D-3fcjA: 18.04

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["2C12_C_SPMC1434_1","NITROALKANE OXIDASE","3fcj","NITROALKANE OXIDASE","Fusarium oxysporum",11,"GLN A  61;MET A  70;LEU A  73;GLU A  76;VAL A  95;ALA A  98;LEU A  99;MET A 102;SER A 276;LEU A 279;VAL A 280","None;None;None;None;None;None;NIE A 600 ( 4.9A);None;None;None;None","0.43A","2c12C-3fcjA:68.3",null],["2C12_F_SPMF1433_1","NITROALKANE OXIDASE","3fcj","NITROALKANE OXIDASE","Fusarium oxysporum",10,"GLN A  61;MET A  70;LEU A  73;GLU A  76;VAL A  95;ALA A  98;LEU A  99;MET A 102;SER A 276;LEU A 279","None;None;None;None;None;None;NIE A 600 ( 4.9A);None;None;None","0.37A","2c12F-3fcjA:67.8","2c12C-3fcjA:99.77"],["2EJT_A_SAMA501_0","N(2),N(2)-DIMETHYLGUANOSINE TRNA METHYLTRANSFERASE","3fcj","NITROALKANE OXIDASE","Fusarium oxysporum",5,"LEU A  99;ALA A 129;ILE A  58;ALA A 272;PHE A 273","NIE A 600 ( 4.9A);None;None;None;GOL A 700 (-4.1A)","1.24A","2ejtA-3fcjA:undetectable","2c12F-3fcjA:99.77"],["3TJ7_C_ACTC610_0","GBAA_1210 PROTEIN","3fcj","NITROALKANE OXIDASE","Fusarium oxysporum",3,"ASN A 402;ALA A 277;ARG A 409","NIE A 600 ( 4.1A);None;GOL A 700 ( 3.9A)","0.89A","3tj7C-3fcjA:undetectable;3tj7D-3fcjA:undetectable","2ejtA-3fcjA:24.28"]]