SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3HC'

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)

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	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.	2XYT_D_TC9D1206_2 (SOLUBLE ACETYLCHOLINE RECEPTOR)	4r3u	2-HYDROXYISOBUTYRYL- COA MUTASE LARGE SUBUNIT (Aquincola tertiaricarbonis)	4 / 8	THR A 167 GLN A 208 ASP A 117 SER A 115	3KK A 802 ( 3.4A) 3KK A 802 (-3.8A) 3KK A 802 ( 2.7A) 3HC A 801 ( 3.5A)	1.11A	2xytE-4r3uA: undetectable	2xytE-4r3uA: 17.25
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.	2XZ5_D_ACHD1211_0 (SOLUBLE ACETYLCHOLINE RECEPTOR)	4r3u	2-HYDROXYISOBUTYRYL- COA MUTASE LARGE SUBUNIT (Aquincola tertiaricarbonis)	4 / 8	THR A 167 GLN A 208 ASP A 117 SER A 115	3KK A 802 ( 3.4A) 3KK A 802 (-3.8A) 3KK A 802 ( 2.7A) 3HC A 801 ( 3.5A)	1.16A	2xz5C-4r3uA: undetectable 2xz5D-4r3uA: undetectable	2xz5C-4r3uA: 17.25 2xz5D-4r3uA: 17.25
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.	4A97_D_ZPCD1318_2 (CYS-LOOP LIGAND-GATED ION CHANNEL)	3pvt	PHENYLACETIC ACID DEGRADATION PROTEIN PAAA (Escherichia coli)	4 / 7	GLU A 263 PHE A 264 TYR A 110 VAL A 44	None 3HC A 310 (-4.8A) None None	1.07A	4a97D-3pvtA: undetectable	4a97D-3pvtA: 19.23
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.	4A97_E_ZPCE1318_2 (CYS-LOOP LIGAND-GATED ION CHANNEL)	3pvt	PHENYLACETIC ACID DEGRADATION PROTEIN PAAA (Escherichia coli)	4 / 6	GLU A 263 PHE A 264 TYR A 110 VAL A 44	None 3HC A 310 (-4.8A) None None	1.15A	4a97E-3pvtA: undetectable	4a97E-3pvtA: 19.23
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.	4LTW_A_486A303_1 (ANCESTRAL STEROID RECEPTOR 2)	3pvt	PHENYLACETIC ACID DEGRADATION PROTEIN PAAA (Escherichia coli)	5 / 9	THR A 30 LEU A 31 LEU A 79 GLN A 133 THR A 139	None None None 3HC A 310 (-3.4A) None	1.45A	4ltwA-3pvtA: 2.1	4ltwA-3pvtA: 20.13
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.	4XDT_A_ACTA406_0 (FAD:PROTEIN FMN TRANSFERASE)	4r3u	2-HYDROXYISOBUTYRYL- COA MUTASE LARGE SUBUNIT (Aquincola tertiaricarbonis)	4 / 5	LYS A 234 ARG A 235 LEU A 193 ASP A 189	None 3HC A 801 ( 3.5A) None None	1.50A	4xdtA-4r3uA: undetectable	4xdtA-4r3uA: 19.69
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.	4ZGF_A_BEZA210_0 (UNCHARACTERIZED PROTEIN)	3pvt	PHENYLACETIC ACID DEGRADATION PROTEIN PAAA (Escherichia coli)	4 / 4	VAL A 125 ALA A 129 ASN A 132 GLN A 133	None 3HC A 310 (-3.4A) 3HC A 310 (-3.0A) 3HC A 310 (-3.4A)	1.45A	4zgfA-3pvtA: undetectable	4zgfA-3pvtA: 18.53
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.	5KM8_B_L8PB201_1 (HISTIDINE TRIAD NUCLEOTIDE-BINDING PROTEIN 2, MITOCHONDRIAL)	3pvt	PHENYLACETIC ACID DEGRADATION PROTEIN PAAA (Escherichia coli)	4 / 8	ASN A 132 ALA A 135 GLN A 133 HIS A 38	3HC A 310 (-3.0A) None 3HC A 310 (-3.4A) 3HC A 310 (-3.2A)	1.10A	5km8A-3pvtA: undetectable 5km8B-3pvtA: undetectable	5km8A-3pvtA: 17.80 5km8B-3pvtA: 17.80

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["2XYT_D_TC9D1206_2","SOLUBLE ACETYLCHOLINE RECEPTOR;SOLUBLE ACETYLCHOLINE RECEPTOR","4r3u","2-HYDROXYISOBUTYRYL-COA MUTASE LARGE SUBUNIT","Aquincola tertiaricarbonis",4,"THR A 167;GLN A 208;ASP A 117;SER A 115","3KK A 802 ( 3.4A);3KK A 802 (-3.8A);3KK A 802 ( 2.7A);3HC A 801 ( 3.5A)","1.11A","2xytE-4r3uA:undetectable",null],["2XZ5_D_ACHD1211_0","SOLUBLE ACETYLCHOLINE RECEPTOR","4r3u","2-HYDROXYISOBUTYRYL-COA MUTASE LARGE SUBUNIT","Aquincola tertiaricarbonis",4,"THR A 167;GLN A 208;ASP A 117;SER A 115","3KK A 802 ( 3.4A);3KK A 802 (-3.8A);3KK A 802 ( 2.7A);3HC A 801 ( 3.5A)","1.16A","2xz5C-4r3uA:undetectable;2xz5D-4r3uA:undetectable","2xytE-4r3uA:17.25"],["4A97_D_ZPCD1318_2","CYS-LOOP LIGAND-GATED ION CHANNEL","3pvt","PHENYLACETIC ACID DEGRADATION PROTEIN PAAA","Escherichia coli",4,"GLU A 263;PHE A 264;TYR A 110;VAL A  44","None;3HC A 310 (-4.8A);None;None","1.07A","4a97D-3pvtA:undetectable","2xz5C-4r3uA:17.25;2xz5D-4r3uA:17.25"],["4A97_E_ZPCE1318_2","CYS-LOOP LIGAND-GATED ION CHANNEL","3pvt","PHENYLACETIC ACID DEGRADATION PROTEIN PAAA","Escherichia coli",4,"GLU A 263;PHE A 264;TYR A 110;VAL A  44","None;3HC A 310 (-4.8A);None;None","1.15A","4a97E-3pvtA:undetectable","4a97D-3pvtA:19.23"],["4LTW_A_486A303_1","ANCESTRAL STEROID RECEPTOR 2","3pvt","PHENYLACETIC ACID DEGRADATION PROTEIN PAAA","Escherichia coli",5,"THR A  30;LEU A  31;LEU A  79;GLN A 133;THR A 139","None;None;None;3HC A 310 (-3.4A);None","1.45A","4ltwA-3pvtA:2.1","4a97E-3pvtA:19.23"],["4XDT_A_ACTA406_0","FAD:PROTEIN FMN TRANSFERASE","4r3u","2-HYDROXYISOBUTYRYL-COA MUTASE LARGE SUBUNIT","Aquincola tertiaricarbonis",4,"LYS A 234;ARG A 235;LEU A 193;ASP A 189","None;3HC A 801 ( 3.5A);None;None","1.50A","4xdtA-4r3uA:undetectable","4ltwA-3pvtA:20.13"],["4ZGF_A_BEZA210_0","UNCHARACTERIZED PROTEIN","3pvt","PHENYLACETIC ACID DEGRADATION PROTEIN PAAA","Escherichia coli",4,"VAL A 125;ALA A 129;ASN A 132;GLN A 133","None;3HC A 310 (-3.4A);3HC A 310 (-3.0A);3HC A 310 (-3.4A)","1.45A","4zgfA-3pvtA:undetectable","4xdtA-4r3uA:19.69"],["5KM8_B_L8PB201_1","HISTIDINE TRIAD NUCLEOTIDE-BINDING PROTEIN 2, MITOCHONDRIAL;HISTIDINE TRIAD NUCLEOTIDE-BINDING PROTEIN 2, MITOCHONDRIAL","3pvt","PHENYLACETIC ACID DEGRADATION PROTEIN PAAA","Escherichia coli",4,"ASN A 132;ALA A 135;GLN A 133;HIS A  38","3HC A 310 (-3.0A);None;3HC A 310 (-3.4A);3HC A 310 (-3.2A)","1.10A","5km8A-3pvtA:undetectable;5km8B-3pvtA:undetectable","4zgfA-3pvtA:18.53"]]