SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4jla'

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.	1R30_A_SAMA501_0 (BIOTIN SYNTHASE)	4jla	ADENYLATE KINASE (Aquifex aeolicus)	5 / 12	PRO A 8 GLY A 32 ASP A 153 ARG A 150 ILE A 158	None ADP A 302 (-3.5A) None ADP A 302 (-3.1A) None	1.19A	1r30A-4jlaA: undetectable	1r30A-4jlaA: 19.19
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.	4A83_A_DXCA1160_0 (MAJOR POLLEN ALLERGEN BET V 1-A)	4jla	ADENYLATE KINASE (Aquifex aeolicus)	5 / 12	PHE A 72 PHE A 83 PRO A 84 LEU A 172 TYR A 175	None	1.39A	4a83A-4jlaA: undetectable	4a83A-4jlaA: 26.70
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.	4A84_A_DXCA1161_0 (MAJOR POLLEN ALLERGEN BET V 1-A)	4jla	ADENYLATE KINASE (Aquifex aeolicus)	5 / 12	PHE A 72 PHE A 83 PRO A 84 LEU A 172 TYR A 175	None	1.42A	4a84A-4jlaA: undetectable	4a84A-4jlaA: 27.18
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.	4EJJ_D_NCTD501_1 (CYTOCHROME P450 2A6)	4jla	ADENYLATE KINASE (Aquifex aeolicus)	4 / 7	GLY A 82 THR A 31 ILE A 68 LEU A 93	ADP A 302 (-4.4A) ADP A 302 (-3.6A) None None	0.64A	4ejjD-4jlaA: undetectable	4ejjD-4jlaA: 20.04
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.	5Z6F_A_FOLA201_0 (DIHYDROFOLATE REDUCTASE)	4jla	ADENYLATE KINASE (Aquifex aeolicus)	5 / 12	ILE A 65 ALA A 90 LEU A 97 THR A 31 ILE A 29	None None None ADP A 302 (-3.6A) None	1.19A	5z6fA-4jlaA: undetectable	5z6fA-4jlaA: 20.28

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1R30_A_SAMA501_0","BIOTIN SYNTHASE","4jla","ADENYLATE KINASE","Aquifex aeolicus",5,"PRO A   8;GLY A  32;ASP A 153;ARG A 150;ILE A 158","None;ADP A 302 (-3.5A);None;ADP A 302 (-3.1A);None","1.19A","1r30A-4jlaA:undetectable","1r30A-4jlaA:19.19"],["4A83_A_DXCA1160_0","MAJOR POLLEN ALLERGEN BET V 1-A","4jla","ADENYLATE KINASE","Aquifex aeolicus",5,"PHE A  72;PHE A  83;PRO A  84;LEU A 172;TYR A 175","None","1.39A","4a83A-4jlaA:undetectable","4a83A-4jlaA:26.70"],["4A84_A_DXCA1161_0","MAJOR POLLEN ALLERGEN BET V 1-A","4jla","ADENYLATE KINASE","Aquifex aeolicus",5,"PHE A  72;PHE A  83;PRO A  84;LEU A 172;TYR A 175","None","1.42A","4a84A-4jlaA:undetectable","4a84A-4jlaA:27.18"],["4EJJ_D_NCTD501_1","CYTOCHROME P450 2A6","4jla","ADENYLATE KINASE","Aquifex aeolicus",4,"GLY A  82;THR A  31;ILE A  68;LEU A  93","ADP A 302 (-4.4A);ADP A 302 (-3.6A);None;None","0.64A","4ejjD-4jlaA:undetectable","4ejjD-4jlaA:20.04"],["5Z6F_A_FOLA201_0","DIHYDROFOLATE REDUCTASE","4jla","ADENYLATE KINASE","Aquifex aeolicus",5,"ILE A  65;ALA A  90;LEU A  97;THR A  31;ILE A  29","None;None;None;ADP A 302 (-3.6A);None","1.19A","5z6fA-4jlaA:undetectable","5z6fA-4jlaA:20.28"]]