7ABJ
Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-1361
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, LA, W, WA (A, C, B, D) | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
| 3 | F, MA, X, XA (A, C, B, D) | MAGNESIUM ION | non-polymer | 24.3 | 4 | Chemie (MG) | |||
| 4 | AA, AB, BA, BB, CA... (B, D, A, C) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 38 | Chemie (EDO) | |||
| 5 | FA, R (B, A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 2 | Chemie (DMS) | |||
| 6 | HA, MB, T, UA (B, D, A, C) | 5-(3-(cyclopentyloxy)-4-methoxyphenyl)-2-isopropyl-4,4-dimethyl-2,4-dihydro-3H-pyrazol-3-one | non-polymer | 344.4 | 4 | Chemie (863) | |||
| 7 | GA, IA, NB, SA, V (B, D, C, A) | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID | non-polymer | 238.3 | 5 | Chemie (EPE) | |||
| 8 | EA, IB, JB, KA, KB (B, D, C) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 5 | Chemie (PEG) | |||
| 9 | OB, PB, QB, RB (A, B, C, D) | water | water | 18.0 | 534 | 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 | 62 |
| Total formula weight | 5973.6 | |
| All* | Total formula weight | 173206.6 |
