6C7F
Crystal structure of human phosphodiesterase 2A with 1-(2-chloro-5-isobutoxy-phenyl)-N,4-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004114 | molecular_function | 3',5'-cyclic-nucleotide phosphodiesterase activity |
| A | 0007165 | biological_process | signal transduction |
| A | 0008081 | molecular_function | phosphoric diester hydrolase activity |
| B | 0004114 | molecular_function | 3',5'-cyclic-nucleotide phosphodiesterase activity |
| B | 0007165 | biological_process | signal transduction |
| B | 0008081 | molecular_function | phosphoric diester hydrolase activity |
| C | 0004114 | molecular_function | 3',5'-cyclic-nucleotide phosphodiesterase activity |
| C | 0007165 | biological_process | signal transduction |
| C | 0008081 | molecular_function | phosphoric diester hydrolase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 13 |
| Details | binding site for residue EOS A 1001 |
| Chain | Residue |
| A | THR768 |
| A | HOH1118 |
| A | HOH1178 |
| A | HOH1191 |
| A | HOH1205 |
| A | LEU770 |
| A | ASP808 |
| A | GLN812 |
| A | ILE826 |
| A | PHE830 |
| A | MET847 |
| A | PHE862 |
| A | HOH1104 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | binding site for residue ZN A 1002 |
| Chain | Residue |
| A | HIS660 |
| A | HIS696 |
| A | ASP697 |
| A | ASP808 |
| A | HOH1112 |
| A | HOH1190 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | binding site for residue MG A 1003 |
| Chain | Residue |
| A | ASP697 |
| A | HOH1112 |
| A | HOH1133 |
| A | HOH1144 |
| A | HOH1206 |
| A | HOH1216 |
| site_id | AC4 |
| Number of Residues | 11 |
| Details | binding site for residue EOS B 1001 |
| Chain | Residue |
| B | THR768 |
| B | ASP808 |
| B | LEU809 |
| B | GLN812 |
| B | PHE830 |
| B | MET847 |
| B | GLN859 |
| B | PHE862 |
| B | HOH1110 |
| B | HOH1158 |
| B | HOH1209 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | binding site for residue ZN B 1002 |
| Chain | Residue |
| B | HIS660 |
| B | HIS696 |
| B | ASP697 |
| B | ASP808 |
| B | HOH1117 |
| B | HOH1211 |
| site_id | AC6 |
| Number of Residues | 6 |
| Details | binding site for residue MG B 1003 |
| Chain | Residue |
| B | ASP697 |
| B | HOH1117 |
| B | HOH1120 |
| B | HOH1134 |
| B | HOH1189 |
| B | HOH1234 |
| site_id | AC7 |
| Number of Residues | 15 |
| Details | binding site for residue EOS C 1001 |
| Chain | Residue |
| B | HIS587 |
| C | THR768 |
| C | LEU770 |
| C | THR805 |
| C | ASP808 |
| C | GLN812 |
| C | ILE826 |
| C | PHE830 |
| C | GLN859 |
| C | PHE862 |
| C | HOH1117 |
| C | HOH1146 |
| C | HOH1162 |
| C | HOH1168 |
| C | HOH1198 |
| site_id | AC8 |
| Number of Residues | 6 |
| Details | binding site for residue ZN C 1002 |
| Chain | Residue |
| C | HIS660 |
| C | HIS696 |
| C | ASP697 |
| C | ASP808 |
| C | HOH1126 |
| C | HOH1181 |
| site_id | AC9 |
| Number of Residues | 6 |
| Details | binding site for residue MG C 1003 |
| Chain | Residue |
| C | ASP697 |
| C | HOH1119 |
| C | HOH1122 |
| C | HOH1126 |
| C | HOH1158 |
| C | HOH1189 |
Functional Information from PROSITE/UniProt
| site_id | PS00126 |
| Number of Residues | 12 |
| Details | PDEASE_I_1 3'5'-cyclic nucleotide phosphodiesterase domain signature. HDLdHrGtnNsF |
| Chain | Residue | Details |
| A | HIS696-PHE707 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 3 |
| Details | Active site: {"description":"Proton donor","evidences":[{"source":"UniProtKB","id":"O76083","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 9 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"15938621","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19828435","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"23899287","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1Z1L","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3IBJ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3ITM","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3ITU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4HTX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4HTZ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4JIB","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 3 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"15938621","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19828435","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"23899287","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1Z1L","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3ITM","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3ITU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4HTX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4HTZ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4JIB","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
