4D09
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 | 12 |
| Details | BINDING SITE FOR RESIDUE 788 A 1 |
| Chain | Residue |
| A | LEU770 |
| A | HOH2002 |
| A | HOH2003 |
| A | HOH2004 |
| A | LEU774 |
| A | ASP808 |
| A | LEU809 |
| A | ILE826 |
| A | MET847 |
| A | GLN859 |
| A | PHE862 |
| A | HOH2001 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE ZN A 1001 |
| Chain | Residue |
| A | HIS660 |
| A | HIS696 |
| A | ASP697 |
| A | ASP808 |
| A | HOH2033 |
| A | HOH2043 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG A 1002 |
| Chain | Residue |
| A | ASP697 |
| A | HOH2034 |
| A | HOH2042 |
| A | HOH2043 |
| A | HOH2044 |
| A | HOH2054 |
| site_id | AC4 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE 788 B 1 |
| Chain | Residue |
| B | TYR655 |
| B | LEU770 |
| B | GLN812 |
| B | MET847 |
| B | GLN859 |
| B | PHE862 |
| B | HOH2001 |
| B | HOH2003 |
| B | HOH2004 |
| B | HOH2005 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE ZN B 1001 |
| Chain | Residue |
| B | HIS660 |
| B | HIS696 |
| B | ASP697 |
| B | ASP808 |
| B | HOH2031 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG B 1002 |
| Chain | Residue |
| B | ASP697 |
| B | HOH2029 |
| B | HOH2031 |
| B | HOH2032 |
| B | HOH2045 |
| site_id | AC7 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE 788 C 1 |
| Chain | Residue |
| B | ASP588 |
| B | GLY589 |
| C | TYR655 |
| C | LEU770 |
| C | LEU774 |
| C | GLN812 |
| C | MET847 |
| C | GLN859 |
| C | PHE862 |
| C | MG1002 |
| C | HOH2001 |
| C | HOH2003 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE ZN C 1001 |
| Chain | Residue |
| C | HIS660 |
| C | HIS696 |
| C | ASP697 |
| C | ASP808 |
| C | HOH2005 |
| site_id | AC9 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG C 1002 |
| Chain | Residue |
| C | 7881 |
| C | HIS656 |
| C | ASP697 |
| C | HIS700 |
| C | HOH2009 |
| C | HOH2010 |
| site_id | BC1 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE 788 D 1 |
| Chain | Residue |
| A | ASP588 |
| A | GLN591 |
| D | TYR655 |
| D | LEU774 |
| D | GLN812 |
| D | MET847 |
| D | GLN859 |
| D | PHE862 |
| D | HOH2001 |
| D | HOH2002 |
| site_id | BC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE ZN D 1001 |
| Chain | Residue |
| D | HIS660 |
| D | HIS696 |
| D | ASP697 |
| D | ASP808 |
| D | HOH2016 |
| D | HOH2024 |
| site_id | BC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE MG D 1002 |
| Chain | Residue |
| D | ASP697 |
| D | GLU727 |
| D | HIS730 |
| D | HOH2015 |
| D | HOH2023 |
| D | HOH2024 |
| D | HOH2032 |
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 |
| A | HIS660 | |
| D | HIS660 | |
| D | ASP697 | |
| D | ASP808 | |
| A | ASP697 | |
| A | ASP808 | |
| B | HIS660 | |
| B | ASP697 | |
| B | ASP808 | |
| C | HIS660 | |
| C | ASP697 | |
| C | ASP808 |
| 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 |
