4C1I
Selective Inhibitors of PDE2, PDE9, and PDE10: Modulators of Activity of the Central Nervous System
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 |
| D | 0004114 | molecular_function | 3',5'-cyclic-nucleotide phosphodiesterase activity |
| D | 0007165 | biological_process | signal transduction |
| D | 0008081 | molecular_function | phosphoric diester hydrolase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE EH9 A 1906 |
| Chain | Residue |
| A | HIS656 |
| A | HOH2057 |
| A | HIS773 |
| A | THR805 |
| A | GLN812 |
| A | ILE826 |
| A | GLN859 |
| A | PHE862 |
| A | ILE870 |
| A | HOH2023 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE ZN A 1907 |
| Chain | Residue |
| A | HIS660 |
| A | HIS696 |
| A | ASP697 |
| A | ASP808 |
| A | HOH2026 |
| A | HOH2031 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG A 1908 |
| Chain | Residue |
| A | ASP697 |
| A | HOH2025 |
| A | HOH2030 |
| A | HOH2031 |
| A | HOH2032 |
| A | HOH2040 |
| site_id | AC4 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE EH9 B 1900 |
| Chain | Residue |
| B | TYR655 |
| B | HIS656 |
| B | HIS773 |
| B | GLN812 |
| B | ILE826 |
| B | GLN859 |
| B | PHE862 |
| B | HOH2052 |
| B | HOH2059 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE ZN B 1901 |
| Chain | Residue |
| B | HIS660 |
| B | HIS696 |
| B | ASP697 |
| B | ASP808 |
| B | HOH2026 |
| site_id | AC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG B 1902 |
| Chain | Residue |
| B | ASP697 |
| B | HOH2021 |
| B | HOH2025 |
| B | HOH2026 |
| B | HOH2027 |
| B | HOH2035 |
| site_id | AC7 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE EH9 C 1900 |
| Chain | Residue |
| C | HIS656 |
| C | THR805 |
| C | LEU809 |
| C | GLN812 |
| C | GLN859 |
| C | PHE862 |
| C | HOH2048 |
| C | HOH2050 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE ZN C 1901 |
| Chain | Residue |
| C | HIS660 |
| C | HIS696 |
| C | ASP697 |
| C | ASP808 |
| C | HOH2026 |
| site_id | AC9 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG C 1902 |
| Chain | Residue |
| C | ASP697 |
| C | HOH2020 |
| C | HOH2025 |
| C | HOH2026 |
| C | HOH2027 |
| C | HOH2038 |
| site_id | BC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EH9 D 1900 |
| Chain | Residue |
| D | HIS656 |
| D | THR805 |
| D | GLN812 |
| D | ILE826 |
| D | GLN859 |
| D | PHE862 |
| D | HOH2047 |
| site_id | BC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE ZN D 1901 |
| Chain | Residue |
| D | HIS660 |
| D | HIS696 |
| D | ASP697 |
| D | ASP808 |
| D | HOH2015 |
| site_id | BC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG D 1902 |
| Chain | Residue |
| D | ASP697 |
| D | HOH2011 |
| D | HOH2014 |
| D | HOH2015 |
| D | HOH2016 |
| D | HOH2024 |
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 | 4 |
| 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 | 12 |
| 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 | 4 |
| 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 |
