6FET
Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-1439
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | polymer | 364 | 41808.2 | 4 | UniProt (Q08499) Pfam (PF00233) In PDB | Homo sapiens (Human) | DPDE3,PDE43 |
| 2 | C, B, A, D | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
| 3 | C, B, A, D | MAGNESIUM ION | non-polymer | 24.3 | 4 | Chemie (MG) | |||
| 4 | A, C, D, B | 1,2-ETHANEDIOL | non-polymer | 62.1 | 67 | Chemie (EDO) | |||
| 5 | C, D, A, B | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 4 | Chemie (PEG) | |||
| 6 | D, C, B, A | 1-(2-{4-[(4aS,8aR)-4-[3,4-bis(difluoromethoxy)phenyl]-1-oxo-1,2,4a,5,8,8a-hexahydrophthalazin-2-yl]piperidin-1-yl}-2-oxoethyl)-4,4-dimethylpiperidine-2,6-dione | non-polymer | 622.6 | 4 | Chemie (D68) | |||
| 7 | B, C, D, A | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID | non-polymer | 238.3 | 5 | Chemie (EPE) | |||
| 8 | A, D | NICKEL (II) ION | non-polymer | 58.7 | 2 | Chemie (NI) | |||
| 9 | C, D | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 2 | Chemie (PG4) | |||
| 10 | water | water | 18.0 | 625 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 79 - 438 (UniProt: Q08499)
| PDB | External Database | Details |
|---|---|---|
| Gly 75 | - | expression tag |
| Ser 76 | - | expression tag |
| His 77 | - | expression tag |
| Met 78 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 167233.0 | |
| Non-Polymers* | Number of molecules | 92 |
| Total formula weight | 9129.7 | |
| All* | Total formula weight | 176362.7 |
