1SO2
CATALYTIC DOMAIN OF HUMAN PHOSPHODIESTERASE 3B In COMPLEX WITH A DIHYDROPYRIDAZINE 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 | 5 |
| Details | BINDING SITE FOR RESIDUE MG A 471 |
| Chain | Residue |
| A | HOH11 |
| A | HIS741 |
| A | HIS821 |
| A | ASP822 |
| A | ASP937 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG A 472 |
| Chain | Residue |
| A | HOH15 |
| A | ASP822 |
| A | HOH11 |
| A | HOH12 |
| A | HOH13 |
| A | HOH14 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG B 473 |
| Chain | Residue |
| B | HOH21 |
| B | MG474 |
| B | HIS741 |
| B | HIS821 |
| B | ASP822 |
| B | ASP937 |
| site_id | AC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE MG B 474 |
| Chain | Residue |
| B | HOH21 |
| B | HOH22 |
| B | HOH23 |
| B | HOH24 |
| B | HOH26 |
| B | MG473 |
| B | ASP822 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG C 475 |
| Chain | Residue |
| C | HOH31 |
| C | HIS741 |
| C | HIS821 |
| C | ASP822 |
| C | ASP937 |
| site_id | AC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG C 476 |
| Chain | Residue |
| C | HOH31 |
| C | HOH32 |
| C | HOH33 |
| C | HOH34 |
| C | HOH36 |
| C | ASP822 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG D 477 |
| Chain | Residue |
| D | HOH41 |
| D | MG478 |
| D | HIS741 |
| D | HIS821 |
| D | ASP822 |
| D | ASP937 |
| site_id | AC8 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE MG D 478 |
| Chain | Residue |
| D | HOH41 |
| D | HOH42 |
| D | HOH43 |
| D | HOH44 |
| D | HOH46 |
| D | MG477 |
| D | HIS821 |
| D | ASP822 |
| site_id | AC9 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG A 479 |
| Chain | Residue |
| A | HOH51 |
| A | HOH52 |
| A | HOH53 |
| A | HOH54 |
| A | ASN968 |
| B | ASP875 |
| site_id | BC1 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE HG9 B 451 |
| Chain | Residue |
| B | HOH223 |
| B | HOH256 |
| B | HOH385 |
| B | HOH391 |
| B | ASN957 |
| B | ARG979 |
| B | LEU984 |
| D | ALA985 |
| D | ILE1071 |
| D | LYS1073 |
| site_id | BC2 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE HG9 B 452 |
| Chain | Residue |
| B | ALA985 |
| B | LYS1070 |
| B | ILE1071 |
| B | LYS1073 |
| D | LEU949 |
| D | ASN957 |
| D | TYR960 |
| D | ARG979 |
| D | LEU984 |
| site_id | BC3 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE HG9 A 453 |
| Chain | Residue |
| A | HOH126 |
| A | HOH301 |
| A | GLU953 |
| A | ASN957 |
| A | ARG979 |
| A | LEU984 |
| B | ARG783 |
| C | ALA985 |
| C | ILE1071 |
| C | LYS1073 |
| site_id | BC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE HG9 A 454 |
| Chain | Residue |
| A | ALA985 |
| A | ILE1071 |
| A | LYS1073 |
| C | HOH288 |
| C | ASN957 |
| C | ARG979 |
| site_id | BC5 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE 666 A 461 |
| Chain | Residue |
| A | THR952 |
| A | LEU987 |
| A | GLN988 |
| A | SER990 |
| A | PHE991 |
| A | HOH148 |
| A | HOH200 |
| A | TYR736 |
| A | THR829 |
| A | ILE938 |
| A | GLY940 |
| A | PRO941 |
| A | HIS948 |
| A | TRP951 |
| site_id | BC6 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE 666 B 462 |
| Chain | Residue |
| B | TYR736 |
| B | ILE938 |
| B | GLY940 |
| B | PRO941 |
| B | HIS948 |
| B | TRP951 |
| B | THR952 |
| B | PHE976 |
| B | LEU987 |
| B | GLN988 |
| B | SER990 |
| B | PHE991 |
| site_id | BC7 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE 666 C 463 |
| Chain | Residue |
| C | HOH182 |
| C | TYR736 |
| C | THR829 |
| C | LEU895 |
| C | ILE938 |
| C | GLY940 |
| C | PRO941 |
| C | HIS948 |
| C | THR952 |
| C | LEU987 |
| C | GLN988 |
| C | SER990 |
| C | PHE991 |
| site_id | BC8 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE 666 D 464 |
| Chain | Residue |
| D | HOH320 |
| D | TYR736 |
| D | THR829 |
| D | ILE938 |
| D | GLY940 |
| D | PRO941 |
| D | HIS948 |
| D | TRP951 |
| D | THR952 |
| D | LEU987 |
| D | GLN988 |
| D | PHE991 |
Functional Information from PROSITE/UniProt
| site_id | PS00126 |
| Number of Residues | 12 |
| Details | PDEASE_I_1 3'5'-cyclic nucleotide phosphodiesterase domain signature. HDYdHpGrtNaF |
| Chain | Residue | Details |
| A | HIS821-PHE832 |
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 | HIS737 | |
| B | HIS737 | |
| C | HIS737 | |
| D | HIS737 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 8 |
| Details | BINDING: BINDING => ECO:0000250|UniProtKB:Q14432 |
| Chain | Residue | Details |
| A | HIS737 | |
| A | GLN988 | |
| B | HIS737 | |
| B | GLN988 | |
| C | HIS737 | |
| C | GLN988 | |
| D | HIS737 | |
| D | GLN988 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 12 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:15147193, ECO:0007744|PDB:1SO2, ECO:0007744|PDB:1SOJ |
| Chain | Residue | Details |
| A | HIS741 | |
| D | HIS741 | |
| D | HIS821 | |
| D | ASP937 | |
| A | HIS821 | |
| A | ASP937 | |
| B | HIS741 | |
| B | HIS821 | |
| B | ASP937 | |
| C | HIS741 | |
| C | HIS821 | |
| C | ASP937 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:15147193, ECO:0007744|PDB:1SO2 |
| Chain | Residue | Details |
| A | ASP822 | |
| B | ASP822 | |
| C | ASP822 | |
| D | ASP822 |
