SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3ci6'

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.	1A27_A_ESTA350_1 (17-BETA-HYDROXYSTERO ID-DEHYDROGENASE)	3ci6	PHOSPHOENOLPYRUVATE- PROTEIN PHOSPHOTRANSFERASE (Acinetobacter sp. ADP1)	5 / 12	VAL A 117 GLY A 116 LEU A 115 ASN A 90 MET A 37	None None None None P4G A 169 ( 4.3A)	1.25A	1a27A-3ci6A: undetectable	1a27A-3ci6A: 24.07
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.	3KKZ_A_SAMA301_0 (UNCHARACTERIZED PROTEIN Q5LES9)	3ci6	PHOSPHOENOLPYRUVATE- PROTEIN PHOSPHOTRANSFERASE (Acinetobacter sp. ADP1)	5 / 12	ARG A 85 GLY A 80 GLY A 83 LEU A 47 SER A 71	None	1.14A	3kkzA-3ci6A: undetectable	3kkzA-3ci6A: 20.30
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)	3ci6	PHOSPHOENOLPYRUVATE- PROTEIN PHOSPHOTRANSFERASE (Acinetobacter sp. ADP1)	5 / 12	PHE A 139 LEU A 154 ILE A 44 GLN A 32 ALA A 34	None	1.38A	4a83A-3ci6A: undetectable	4a83A-3ci6A: 22.40
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.	5K9D_A_CE9A402_0 (DIHYDROOROTATE DEHYDROGENASE (QUINONE), MITOCHONDRIAL)	3ci6	PHOSPHOENOLPYRUVATE- PROTEIN PHOSPHOTRANSFERASE (Acinetobacter sp. ADP1)	5 / 12	ALA A 34 ALA A 36 THR A 8 PHE A 146 LEU A 150	None P4G A 169 ( 4.3A) P4G A 169 (-3.6A) P4G A 169 ( 4.2A) None	1.18A	5k9dA-3ci6A: undetectable	5k9dA-3ci6A: 19.78

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1A27_A_ESTA350_1","17-BETA-HYDROXYSTEROID-DEHYDROGENASE","3ci6","PHOSPHOENOLPYRUVATE-PROTEIN PHOSPHOTRANSFERASE","Acinetobacter sp. ADP1",5,"VAL A 117;GLY A 116;LEU A 115;ASN A  90;MET A  37","None;None;None;None;P4G A 169 ( 4.3A)","1.25A","1a27A-3ci6A:undetectable","1a27A-3ci6A:24.07"],["3KKZ_A_SAMA301_0","UNCHARACTERIZED PROTEIN Q5LES9","3ci6","PHOSPHOENOLPYRUVATE-PROTEIN PHOSPHOTRANSFERASE","Acinetobacter sp. ADP1",5,"ARG A  85;GLY A  80;GLY A  83;LEU A  47;SER A  71","None","1.14A","3kkzA-3ci6A:undetectable","3kkzA-3ci6A:20.30"],["4A83_A_DXCA1160_0","MAJOR POLLEN ALLERGEN BET V 1-A","3ci6","PHOSPHOENOLPYRUVATE-PROTEIN PHOSPHOTRANSFERASE","Acinetobacter sp. ADP1",5,"PHE A 139;LEU A 154;ILE A  44;GLN A  32;ALA A  34","None","1.38A","4a83A-3ci6A:undetectable","4a83A-3ci6A:22.40"],["5K9D_A_CE9A402_0","DIHYDROOROTATE DEHYDROGENASE (QUINONE), MITOCHONDRIAL","3ci6","PHOSPHOENOLPYRUVATE-PROTEIN PHOSPHOTRANSFERASE","Acinetobacter sp. ADP1",5,"ALA A  34;ALA A  36;THR A   8;PHE A 146;LEU A 150","None;P4G A 169 ( 4.3A);P4G A 169 (-3.6A);P4G A 169 ( 4.2A);None","1.18A","5k9dA-3ci6A:undetectable","5k9dA-3ci6A:19.78"]]