SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3mdp'

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.	1CQP_A_803A311_1 (ANTIGEN CD11A (P180))	3mdp	CYCLIC NUCLEOTIDE-BINDING DOMAIN (CNMP-BD) PROTEIN (Geobacter metallireducens)	5 / 10	LEU A 114 ILE A 109 LEU A 7 LEU A 16 VAL A 127	None	1.20A	1cqpA-3mdpA: undetectable 1cqpB-3mdpA: undetectable	1cqpA-3mdpA: 20.69 1cqpB-3mdpA: 20.69
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.	1EQG_A_IBPA701_1 (PROSTAGLANDIN H2 SYNTHASE-1)	3mdp	CYCLIC NUCLEOTIDE-BINDING DOMAIN (CNMP-BD) PROTEIN (Geobacter metallireducens)	5 / 9	VAL A 77 ILE A 39 ALA A 98 SER A 96 LEU A 59	None None None SIN A 142 (-3.2A) SIN A 142 (-4.5A)	1.06A	1eqgA-3mdpA: undetectable	1eqgA-3mdpA: 13.01
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.	1EQG_B_IBPB1701_1 (PROSTAGLANDIN H2 SYNTHASE-1)	3mdp	CYCLIC NUCLEOTIDE-BINDING DOMAIN (CNMP-BD) PROTEIN (Geobacter metallireducens)	5 / 11	VAL A 77 ILE A 39 ALA A 98 SER A 96 LEU A 59	None None None SIN A 142 (-3.2A) SIN A 142 (-4.5A)	1.08A	1eqgB-3mdpA: undetectable	1eqgB-3mdpA: 13.01
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.	5W3J_B_TA1B502_1 (TUBULIN BETA CHAIN)	3mdp	CYCLIC NUCLEOTIDE-BINDING DOMAIN (CNMP-BD) PROTEIN (Geobacter metallireducens)	4 / 8	VAL A 107 ASP A 108 GLY A 111 LEU A 114	None EDO A 143 (-3.3A) None None	0.84A	5w3jB-3mdpA: undetectable	5w3jB-3mdpA: 16.33

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1CQP_A_803A311_1","ANTIGEN CD11A (P180);ANTIGEN CD11A (P180)","3mdp","CYCLIC NUCLEOTIDE-BINDING DOMAIN (CNMP-BD) PROTEIN","Geobacter metallireducens",5,"LEU A 114;ILE A 109;LEU A   7;LEU A  16;VAL A 127","None","1.20A","1cqpA-3mdpA:undetectable;1cqpB-3mdpA:undetectable","1cqpA-3mdpA:20.69;1cqpB-3mdpA:20.69"],["1EQG_A_IBPA701_1","PROSTAGLANDIN H2 SYNTHASE-1","3mdp","CYCLIC NUCLEOTIDE-BINDING DOMAIN (CNMP-BD) PROTEIN","Geobacter metallireducens",5,"VAL A  77;ILE A  39;ALA A  98;SER A  96;LEU A  59","None;None;None;SIN A 142 (-3.2A);SIN A 142 (-4.5A)","1.06A","1eqgA-3mdpA:undetectable","1eqgA-3mdpA:13.01"],["1EQG_B_IBPB1701_1","PROSTAGLANDIN H2 SYNTHASE-1","3mdp","CYCLIC NUCLEOTIDE-BINDING DOMAIN (CNMP-BD) PROTEIN","Geobacter metallireducens",5,"VAL A  77;ILE A  39;ALA A  98;SER A  96;LEU A  59","None;None;None;SIN A 142 (-3.2A);SIN A 142 (-4.5A)","1.08A","1eqgB-3mdpA:undetectable","1eqgB-3mdpA:13.01"],["5W3J_B_TA1B502_1","TUBULIN BETA CHAIN","3mdp","CYCLIC NUCLEOTIDE-BINDING DOMAIN (CNMP-BD) PROTEIN","Geobacter metallireducens",4,"VAL A 107;ASP A 108;GLY A 111;LEU A 114","None;EDO A 143 (-3.3A);None;None","0.84A","5w3jB-3mdpA:undetectable","5w3jB-3mdpA:16.33"]]