SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'VAE'

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.	2AOF_C_FRDC305_1 (POL POLYPROTEIN PEPTIDE INHIBITOR)	3rv6	ISOCHORISMATE SYNTHASE/ISOCHORISMA TE-PYRUVATE LYASE MBTI (Mycobacterium tuberculosis)	4 / 5	ASP A 378 GLY A 421 ALA A 373 ILE A 374	None VAE A 451 ( 4.2A) None None	0.91A	2aofA-3rv6A: undetectable	2aofA-3rv6A: 12.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2FN1_A_SALA506_1 (SALICYLATE SYNTHETASE, IRP9)	3rv6	ISOCHORISMATE SYNTHASE/ISOCHORISMA TE-PYRUVATE LYASE MBTI (Mycobacterium tuberculosis)	5 / 11	ILE A 207 GLU A 252 GLU A 297 LEU A 404 GLY A 421	VAE A 451 (-4.2A) None MG A 452 (-3.8A) VAE A 451 (-3.8A) VAE A 451 ( 4.2A)	0.81A	2fn1A-3rv6A: 48.6	2fn1A-3rv6A: 37.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2FN1_B_SALB503_1 (SALICYLATE SYNTHETASE, IRP9)	3rv6	ISOCHORISMATE SYNTHASE/ISOCHORISMA TE-PYRUVATE LYASE MBTI (Mycobacterium tuberculosis)	5 / 11	ILE A 207 GLU A 252 GLU A 297 THR A 361 GLY A 421	VAE A 451 (-4.2A) None MG A 452 (-3.8A) VAE A 451 (-4.7A) VAE A 451 ( 4.2A)	1.03A	2fn1B-3rv6A: 48.3	2fn1B-3rv6A: 37.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2FN1_B_SALB503_1 (SALICYLATE SYNTHETASE, IRP9)	3rv6	ISOCHORISMATE SYNTHASE/ISOCHORISMA TE-PYRUVATE LYASE MBTI (Mycobacterium tuberculosis)	5 / 11	ILE A 207 GLY A 270 THR A 271 THR A 361 LYS A 438	VAE A 451 (-4.2A) VAE A 451 ( 3.8A) VAE A 451 ( 4.7A) VAE A 451 (-4.7A) VAE A 451 (-2.8A)	1.16A	2fn1B-3rv6A: 48.3	2fn1B-3rv6A: 37.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2FN1_B_SALB503_1 (SALICYLATE SYNTHETASE, IRP9)	3rv6	ISOCHORISMATE SYNTHASE/ISOCHORISMA TE-PYRUVATE LYASE MBTI (Mycobacterium tuberculosis)	5 / 11	ILE A 207 THR A 271 THR A 361 GLY A 421 LYS A 438	VAE A 451 (-4.2A) VAE A 451 ( 4.7A) VAE A 451 (-4.7A) VAE A 451 ( 4.2A) VAE A 451 (-2.8A)	1.12A	2fn1B-3rv6A: 48.3	2fn1B-3rv6A: 37.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2FN1_B_SALB503_1 (SALICYLATE SYNTHETASE, IRP9)	3rv6	ISOCHORISMATE SYNTHASE/ISOCHORISMA TE-PYRUVATE LYASE MBTI (Mycobacterium tuberculosis)	5 / 11	ILE A 207 THR A 361 GLY A 421 GLU A 434 LYS A 438	VAE A 451 (-4.2A) VAE A 451 (-4.7A) VAE A 451 ( 4.2A) MG A 452 ( 4.9A) VAE A 451 (-2.8A)	0.98A	2fn1B-3rv6A: 48.3	2fn1B-3rv6A: 37.88
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.	3D1Y_A_ROCA201_2 (HIV-1 PROTEASE)	3rv6	ISOCHORISMATE SYNTHASE/ISOCHORISMA TE-PYRUVATE LYASE MBTI (Mycobacterium tuberculosis)	5 / 9	ARG A 376 ASP A 378 GLY A 421 ILE A 422 ILE A 374	None None VAE A 451 ( 4.2A) None None	1.17A	3d1yB-3rv6A: undetectable	3d1yB-3rv6A: 13.62
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.	5HIE_B_P06B801_1 (SERINE/THREONINE-PRO TEIN KINASE B-RAF)	3rv6	ISOCHORISMATE SYNTHASE/ISOCHORISMA TE-PYRUVATE LYASE MBTI (Mycobacterium tuberculosis)	6 / 12	GLY A 383 ALA A 362 PHE A 375 ILE A 374 PHE A 357 GLY A 115	None VAE A 451 ( 4.4A) None None None None	1.17A	5hieB-3rv6A: undetectable	5hieB-3rv6A: 20.42

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["2AOF_C_FRDC305_1","POL POLYPROTEIN;PEPTIDE INHIBITOR","3rv6","ISOCHORISMATE SYNTHASE\/ISOCHORISMATE-PYRUVATE LYASE MBTI","Mycobacterium tuberculosis",4,"ASP A 378;GLY A 421;ALA A 373;ILE A 374","None;VAE A 451 ( 4.2A);None;None","0.91A","2aofA-3rv6A:undetectable",null],["2FN1_A_SALA506_1","SALICYLATE SYNTHETASE, IRP9","3rv6","ISOCHORISMATE SYNTHASE\/ISOCHORISMATE-PYRUVATE LYASE MBTI","Mycobacterium tuberculosis",5,"ILE A 207;GLU A 252;GLU A 297;LEU A 404;GLY A 421","VAE A 451 (-4.2A);None; MG A 452 (-3.8A);VAE A 451 (-3.8A);VAE A 451 ( 4.2A)","0.81A","2fn1A-3rv6A:48.6","2aofA-3rv6A:12.32"],["2FN1_B_SALB503_1","SALICYLATE SYNTHETASE, IRP9","3rv6","ISOCHORISMATE SYNTHASE\/ISOCHORISMATE-PYRUVATE LYASE MBTI","Mycobacterium tuberculosis",5,"ILE A 207;GLU A 252;GLU A 297;THR A 361;GLY A 421","VAE A 451 (-4.2A);None; MG A 452 (-3.8A);VAE A 451 (-4.7A);VAE A 451 ( 4.2A)","1.03A","2fn1B-3rv6A:48.3","2fn1A-3rv6A:37.88"],["2FN1_B_SALB503_1","SALICYLATE SYNTHETASE, IRP9","3rv6","ISOCHORISMATE SYNTHASE\/ISOCHORISMATE-PYRUVATE LYASE MBTI","Mycobacterium tuberculosis",5,"ILE A 207;GLY A 270;THR A 271;THR A 361;LYS A 438","VAE A 451 (-4.2A);VAE A 451 ( 3.8A);VAE A 451 ( 4.7A);VAE A 451 (-4.7A);VAE A 451 (-2.8A)","1.16A","2fn1B-3rv6A:48.3","2fn1B-3rv6A:37.88"],["2FN1_B_SALB503_1","SALICYLATE SYNTHETASE, IRP9","3rv6","ISOCHORISMATE SYNTHASE\/ISOCHORISMATE-PYRUVATE LYASE MBTI","Mycobacterium tuberculosis",5,"ILE A 207;THR A 271;THR A 361;GLY A 421;LYS A 438","VAE A 451 (-4.2A);VAE A 451 ( 4.7A);VAE A 451 (-4.7A);VAE A 451 ( 4.2A);VAE A 451 (-2.8A)","1.12A","2fn1B-3rv6A:48.3","2fn1B-3rv6A:37.88"],["2FN1_B_SALB503_1","SALICYLATE SYNTHETASE, IRP9","3rv6","ISOCHORISMATE SYNTHASE\/ISOCHORISMATE-PYRUVATE LYASE MBTI","Mycobacterium tuberculosis",5,"ILE A 207;THR A 361;GLY A 421;GLU A 434;LYS A 438","VAE A 451 (-4.2A);VAE A 451 (-4.7A);VAE A 451 ( 4.2A); MG A 452 ( 4.9A);VAE A 451 (-2.8A)","0.98A","2fn1B-3rv6A:48.3","2fn1B-3rv6A:37.88"],["3D1Y_A_ROCA201_2","HIV-1 PROTEASE;HIV-1 PROTEASE","3rv6","ISOCHORISMATE SYNTHASE\/ISOCHORISMATE-PYRUVATE LYASE MBTI","Mycobacterium tuberculosis",5,"ARG A 376;ASP A 378;GLY A 421;ILE A 422;ILE A 374","None;None;VAE A 451 ( 4.2A);None;None","1.17A","3d1yB-3rv6A:undetectable","2fn1B-3rv6A:37.88"],["5HIE_B_P06B801_1","SERINE\/THREONINE-PROTEIN KINASE B-RAF","3rv6","ISOCHORISMATE SYNTHASE\/ISOCHORISMATE-PYRUVATE LYASE MBTI","Mycobacterium tuberculosis",6,"GLY A 383;ALA A 362;PHE A 375;ILE A 374;PHE A 357;GLY A 115","None;VAE A 451 ( 4.4A);None;None;None;None","1.17A","5hieB-3rv6A:undetectable","3d1yB-3rv6A:13.62"]]