SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3vaa'

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.	1GSF_C_EAAC223_1 (GLUTATHIONE TRANSFERASE A1-1)	3vaa	SHIKIMATE KINASE (Bacteroides thetaiotaomicron)	4 / 8	GLY A 13 LEU A 156 VAL A 166 PHE A 29	PEG A 178 (-3.2A) None None None	1.00A	1gsfC-3vaaA: undetectable	1gsfC-3vaaA: 18.07
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.	2YGO_A_PCFA1213_1 (WNT INHIBITORY FACTOR 1)	3vaa	SHIKIMATE KINASE (Bacteroides thetaiotaomicron)	4 / 6	LEU A 156 ILE A 162 ARG A 23 VAL A 44	None	1.18A	2ygoA-3vaaA: undetectable	2ygoA-3vaaA: 18.07
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.	5KMF_A_6U9A1301_1 (ION TRANSPORT PROTEIN)	3vaa	SHIKIMATE KINASE (Bacteroides thetaiotaomicron)	4 / 6	THR A 43 GLY A 45 GLU A 46 PHE A 48	None	0.69A	5kmfA-3vaaA: undetectable 5kmfC-3vaaA: undetectable	5kmfA-3vaaA: 21.99 5kmfC-3vaaA: 21.99
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.	5UMW_B_RBFB201_1 (GLYOXALASE/BLEOMYCIN RESISANCE PROTEIN/DIOXYGENASE)	3vaa	SHIKIMATE KINASE (Bacteroides thetaiotaomicron)	4 / 7	ARG A 39 TYR A 35 GLU A 66 LEU A 47	None	1.20A	5umwB-3vaaA: undetectable 5umwE-3vaaA: undetectable	5umwB-3vaaA: 20.71 5umwE-3vaaA: 20.71

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1GSF_C_EAAC223_1","GLUTATHIONE TRANSFERASE A1-1","3vaa","SHIKIMATE KINASE","Bacteroides thetaiotaomicron",4,"GLY A  13;LEU A 156;VAL A 166;PHE A  29","PEG A 178 (-3.2A);None;None;None","1.00A","1gsfC-3vaaA:undetectable","1gsfC-3vaaA:18.07"],["2YGO_A_PCFA1213_1","WNT INHIBITORY FACTOR 1","3vaa","SHIKIMATE KINASE","Bacteroides thetaiotaomicron",4,"LEU A 156;ILE A 162;ARG A  23;VAL A  44","None","1.18A","2ygoA-3vaaA:undetectable","2ygoA-3vaaA:18.07"],["5KMF_A_6U9A1301_1","ION TRANSPORT PROTEIN;ION TRANSPORT PROTEIN","3vaa","SHIKIMATE KINASE","Bacteroides thetaiotaomicron",4,"THR A  43;GLY A  45;GLU A  46;PHE A  48","None","0.69A","5kmfA-3vaaA:undetectable;5kmfC-3vaaA:undetectable","5kmfA-3vaaA:21.99;5kmfC-3vaaA:21.99"],["5UMW_B_RBFB201_1","GLYOXALASE\/BLEOMYCIN RESISANCE PROTEIN\/DIOXYGENASE;GLYOXALASE\/BLEOMYCIN RESISANCE PROTEIN\/DIOXYGENASE","3vaa","SHIKIMATE KINASE","Bacteroides thetaiotaomicron",4,"ARG A  39;TYR A  35;GLU A  66;LEU A  47","None","1.20A","5umwB-3vaaA:undetectable;5umwE-3vaaA:undetectable","5umwB-3vaaA:20.71;5umwE-3vaaA:20.71"]]