SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3mds'

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.	1MX1_E_THAE5_1 (LIVER CARBOXYLESTERASE I)	3mds	MANGANESE SUPEROXIDE DISMUTASE (Thermus thermophilus)	5 / 12	GLY A 164 VAL A 163 LEU A 191 LEU A 16 MET A 25	None	1.25A	1mx1E-3mdsA: undetectable	1mx1E-3mdsA: 18.84
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.	2A58_E_RBFE304_1 (6,7-DIMETHYL-8-RIBIT YLLUMAZINE SYNTHASE)	3mds	MANGANESE SUPEROXIDE DISMUTASE (Thermus thermophilus)	5 / 12	ILE A 165 ALA A 133 GLY A 131 SER A 130 HIS A 83	None None None None MN3 A 204 (-3.3A)	1.17A	2a58D-3mdsA: undetectable 2a58E-3mdsA: undetectable	2a58D-3mdsA: 23.04 2a58E-3mdsA: 23.04
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.	2NYR_B_SVRB401_4 (NAD-DEPENDENT DEACETYLASE SIRTUIN-5)	3mds	MANGANESE SUPEROXIDE DISMUTASE (Thermus thermophilus)	4 / 5	ALA A 186 ALA A 124 ALA A 133 VAL A 163	None	0.90A	2nyrB-3mdsA: undetectable	2nyrB-3mdsA: 21.09