6HWO
Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-1335
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 | AA, BA, BB, CA, CB... (B, C, D, A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 51 | Chemie (EDO) | |||
| 3 | AC, JA, M, Y, ZA (D, B, A, C) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 5 | Chemie (PEG) | |||
| 4 | GA, N, OB, XA (B, A, D, C) | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
| 5 | KA, Q, RB, YA (B, A, D, C) | 3-[5-[(4aR,8aS)-4-OXIDANYLIDENE-3-PROPAN-2-YL-4a,5,8,8a-TETRAHYDROPHTHALAZIN-1-YL]-2-METHOXY-PHENYL]-N-(PHENYLMETHYL)PROP-2-YNAMIDE | non-polymer | 455.5 | 4 | Chemie (FFZ) | |||
| 6 | AB, LA, R, SB (C, B, A, D) | MAGNESIUM ION | non-polymer | 24.3 | 4 | Chemie (MG) | |||
| 7 | OA, RA, X, ZB (B, C, A, D) | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID | non-polymer | 238.3 | 4 | Chemie (EPE) | |||
| 8 | EB, IA, JB (D, B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 3 | Chemie (DMS) | |||
| 9 | BC, CC, DC, EC (A, B, C, D) | water | water | 18.0 | 590 | 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 | 75 |
| Total formula weight | 7064.7 | |
| All* | Total formula weight | 174297.7 |
