5TZW
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 2A IN COMPLEX WITH 1-[(3,4-difluorophenyl)carbonyl]-3,3-difluoro-5-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperidine
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 | 15 |
| Details | binding site for residue 7P4 A 1001 |
| Chain | Residue |
| A | TYR655 |
| A | GLN859 |
| A | PHE862 |
| A | ILE866 |
| A | HOH1219 |
| A | HOH1285 |
| A | HOH1358 |
| A | HIS656 |
| A | LEU770 |
| A | GLN812 |
| A | ILE826 |
| A | TYR827 |
| A | PHE830 |
| A | MET847 |
| A | LEU858 |
| 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 | HOH1210 |
| A | HOH1219 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | binding site for residue MG A 1003 |
| Chain | Residue |
| A | ASP697 |
| A | HOH1152 |
| A | HOH1181 |
| A | HOH1196 |
| A | HOH1200 |
| A | HOH1210 |
| site_id | AC4 |
| Number of Residues | 10 |
| Details | binding site for residue 7P4 B 1001 |
| Chain | Residue |
| B | TYR655 |
| B | HIS656 |
| B | GLN812 |
| B | ILE826 |
| B | PHE830 |
| B | MET847 |
| B | LEU858 |
| B | GLN859 |
| B | PHE862 |
| B | HOH1263 |
| 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 | HOH1126 |
| B | HOH1263 |
| site_id | AC6 |
| Number of Residues | 6 |
| Details | binding site for residue MG B 1003 |
| Chain | Residue |
| B | ASP697 |
| B | HOH1126 |
| B | HOH1153 |
| B | HOH1171 |
| B | HOH1188 |
| B | HOH1207 |
| site_id | AC7 |
| Number of Residues | 11 |
| Details | binding site for residue 7P4 C 1001 |
| Chain | Residue |
| C | TYR655 |
| C | HIS656 |
| C | LEU770 |
| C | GLN812 |
| C | ILE826 |
| C | TYR827 |
| C | PHE830 |
| C | MET847 |
| C | GLN859 |
| C | PHE862 |
| C | HOH1257 |
| 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 | HOH1151 |
| C | HOH1152 |
| site_id | AC9 |
| Number of Residues | 6 |
| Details | binding site for residue MG C 1003 |
| Chain | Residue |
| C | ASP697 |
| C | HOH1143 |
| C | HOH1152 |
| C | HOH1189 |
| C | HOH1211 |
| C | HOH1228 |
| site_id | AD1 |
| Number of Residues | 13 |
| Details | binding site for residue 7P4 D 1001 |
| Chain | Residue |
| D | TYR655 |
| D | HIS656 |
| D | LEU770 |
| D | LEU809 |
| D | GLN812 |
| D | ILE826 |
| D | TYR827 |
| D | PHE830 |
| D | MET847 |
| D | GLN859 |
| D | PHE862 |
| D | HOH1237 |
| D | HOH1303 |
| site_id | AD2 |
| Number of Residues | 7 |
| Details | binding site for residue ZN D 1002 |
| Chain | Residue |
| D | HIS660 |
| D | HIS696 |
| D | ASP697 |
| D | ASP808 |
| D | MG1003 |
| D | HOH1168 |
| D | HOH1237 |
| site_id | AD3 |
| Number of Residues | 7 |
| Details | binding site for residue MG D 1003 |
| Chain | Residue |
| D | ASP697 |
| D | ZN1002 |
| D | HOH1148 |
| D | HOH1168 |
| D | HOH1183 |
| D | HOH1244 |
| D | HOH1249 |
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 | SER912 | |
| B | SER912 | |
| C | SER912 | |
| D | SER912 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 20 |
| Details | BINDING: BINDING => ECO:0000250|UniProtKB:Q922S4 |
| Chain | Residue | Details |
| A | PHE687 | |
| B | GLN755 | |
| C | PHE687 | |
| C | GLY702 | |
| C | SER721 | |
| C | ASN744 | |
| C | GLN755 | |
| D | PHE687 | |
| D | GLY702 | |
| D | SER721 | |
| D | ASN744 | |
| A | GLY702 | |
| D | GLN755 | |
| A | SER721 | |
| A | ASN744 | |
| A | GLN755 | |
| B | PHE687 | |
| B | GLY702 | |
| B | SER721 | |
| B | ASN744 |
| 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: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 | LEU916 | |
| B | LEU916 | |
| C | LEU916 | |
| D | LEU916 |
