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 | 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 |