6FDI
Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-226
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 | B, A, D, C | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
| 3 | B, A, D, C | MAGNESIUM ION | non-polymer | 24.3 | 4 | Chemie (MG) | |||
| 4 | A, C, D, B | 1,2-ETHANEDIOL | non-polymer | 62.1 | 59 | Chemie (EDO) | |||
| 5 | B, A, D | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 5 | Chemie (PEG) | |||
| 6 | C, B, A, D | 1-[2-[4-[(4~{a}~{S},8~{a}~{R})-4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-2-yl]piperi din-1-yl]-2-oxidanylidene-ethyl]-4,4-dimethyl-piperidine-2,6-dione | non-polymer | 550.6 | 4 | Chemie (D5T) | |||
| 7 | C, B | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID | non-polymer | 238.3 | 2 | Chemie (EPE) | |||
| 8 | D | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 1 | Chemie (PG4) | |||
| 9 | water | water | 18.0 | 831 | 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 | 79 |
| Total formula weight | 7424.9 | |
| All* | Total formula weight | 174657.9 |
