7AAG
Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-617
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 (A, B, C, D) | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | polymer | 364 | 41808.2 | 4 | UniProt (Q08499) Pfam (PF00233) | Homo sapiens (Human) | DPDE3,PDE43 |
| 2 | E, FA, RB, ZA (A, B, D, C) | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
| 3 | AB, CA, F, GA, SB (C, A, B, D) | MAGNESIUM ION | non-polymer | 24.3 | 5 | Chemie (MG) | |||
| 4 | BB, G, HA, TB (C, A, B, D) | 1-cycloheptyl-3-(4-methoxy-3-{4-[4-(1H-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy}phenyl)-4,4-dimethyl-4,5-dihydro-1H-pyrazol-5-one | non-polymer | 546.7 | 4 | Chemie (QWT) | |||
| 5 | AA, AC, BA, BC, CB... (A, D, C, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 50 | Chemie (EDO) | |||
| 6 | FC, GC, HB, P, PB (D, C, A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 5 | Chemie (PEG) | |||
| 7 | HC, IB, IC, Q, QA... (D, C, A, B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 12 | Chemie (DMS) | |||
| 8 | JB, KC, SA, TA, W (C, D, B, A) | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID | non-polymer | 238.3 | 5 | Chemie (EPE) | |||
| 9 | XA (C) | ISOLEUCINE | non-polymer | 131.2 | 1 | Chemie (ILE) | |||
| 10 | YA (C) | PROLINE | non-polymer | 115.1 | 1 | Chemie (PRO) | |||
| 11 | NC, OC, PC, QC (A, B, C, D) | water | water | 18.0 | 878 | 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 | 87 |
| Total formula weight | 8579.2 | |
| All* | Total formula weight | 175812.2 |
