4D08
PDE2a catalytic domain in complex with a brain penetrant inhibitor
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 | 6 |
| Details | BINDING SITE FOR RESIDUE ZN A 1001 |
| Chain | Residue |
| A | HIS660 |
| A | HIS696 |
| A | ASP697 |
| A | ASP808 |
| A | HOH2062 |
| A | HOH2076 |
| site_id | AC2 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE Q2T A 1918 |
| Chain | Residue |
| A | GLN812 |
| A | PHE830 |
| A | MET848 |
| A | GLN859 |
| A | PHE862 |
| A | HOH2061 |
| A | HOH2134 |
| A | HOH2173 |
| A | ASN704 |
| A | THR768 |
| A | ASP808 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG A 1919 |
| Chain | Residue |
| A | ASP697 |
| A | HOH2063 |
| A | HOH2075 |
| A | HOH2076 |
| A | HOH2077 |
| A | HOH2095 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE ZN B 1001 |
| Chain | Residue |
| B | HIS660 |
| B | HIS696 |
| B | ASP697 |
| B | ASP808 |
| B | HOH2049 |
| B | HOH2061 |
| site_id | AC5 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE Q2T B 1917 |
| Chain | Residue |
| B | ASN704 |
| B | THR768 |
| B | ASP808 |
| B | GLN812 |
| B | ILE826 |
| B | PHE830 |
| B | GLN859 |
| B | PHE862 |
| B | HOH2046 |
| B | HOH2104 |
| B | HOH2124 |
| B | HOH2131 |
| B | HOH2168 |
| site_id | AC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG B 1918 |
| Chain | Residue |
| B | ASP697 |
| B | HOH2048 |
| B | HOH2060 |
| B | HOH2061 |
| B | HOH2062 |
| B | HOH2076 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE ZN C 1001 |
| Chain | Residue |
| C | HIS660 |
| C | HIS696 |
| C | ASP697 |
| C | ASP808 |
| C | HOH2032 |
| C | HOH2038 |
| site_id | AC8 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE Q2T C 1917 |
| Chain | Residue |
| C | HIS656 |
| C | THR768 |
| C | ASP808 |
| C | GLN812 |
| C | PHE830 |
| C | MET845 |
| C | MET848 |
| C | GLN859 |
| C | PHE862 |
| C | HOH2030 |
| C | HOH2078 |
| C | HOH2091 |
| C | HOH2129 |
| site_id | AC9 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG C 1918 |
| Chain | Residue |
| C | ASP697 |
| C | HOH2031 |
| C | HOH2037 |
| C | HOH2038 |
| C | HOH2039 |
| C | HOH2061 |
| site_id | BC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE ZN D 1001 |
| Chain | Residue |
| D | HIS660 |
| D | HIS696 |
| D | ASP697 |
| D | ASP808 |
| D | HOH2031 |
| D | HOH2042 |
| site_id | BC2 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE Q2T D 1922 |
| Chain | Residue |
| D | ASN704 |
| D | THR768 |
| D | ASP808 |
| D | GLN812 |
| D | ILE826 |
| D | MET845 |
| D | MET848 |
| D | GLN859 |
| D | PHE862 |
| D | HOH2029 |
| D | HOH2083 |
| D | HOH2111 |
| D | HOH2158 |
| site_id | BC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG D 1923 |
| Chain | Residue |
| D | ASP697 |
| D | HOH2030 |
| D | HOH2041 |
| D | HOH2042 |
| D | HOH2043 |
| D | HOH2066 |
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 | ACT_SITE: Proton donor => ECO:0000250|UniProtKB:O76083 |
| Chain | Residue | Details |
| A | HIS656 | |
| B | HIS656 | |
| C | HIS656 | |
| D | HIS656 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 12 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:15938621, ECO:0000269|PubMed:19828435, ECO:0000269|PubMed:23899287, ECO:0007744|PDB:1Z1L, ECO:0007744|PDB:3IBJ, ECO:0007744|PDB:3ITM, ECO:0007744|PDB:3ITU, ECO:0007744|PDB:4HTX, ECO:0007744|PDB:4HTZ, ECO:0007744|PDB:4JIB |
| Chain | Residue | Details |
| C | ASP808 | |
| D | HIS660 | |
| D | ASP697 | |
| D | ASP808 | |
| A | HIS660 | |
| A | ASP697 | |
| A | ASP808 | |
| B | HIS660 | |
| B | ASP697 | |
| B | ASP808 | |
| C | HIS660 | |
| C | ASP697 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:15938621, ECO:0000269|PubMed:19828435, ECO:0000269|PubMed:23899287, ECO:0007744|PDB:1Z1L, ECO:0007744|PDB:3ITM, ECO:0007744|PDB:3ITU, ECO:0007744|PDB:4HTX, ECO:0007744|PDB:4HTZ, ECO:0007744|PDB:4JIB |
| Chain | Residue | Details |
| A | HIS696 | |
| B | HIS696 | |
| C | HIS696 | |
| D | HIS696 |
