6IBF
Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-417
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, EA, NA, R (A, C, D, B) | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
| 3 | F, FA, OA, S (A, C, D, B) | MAGNESIUM ION | non-polymer | 24.3 | 4 | Chemie (MG) | |||
| 4 | AB, BA, BB, CA, DB... (D, B, A, C) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 38 | Chemie (EDO) | |||
| 5 | AA, CB, IA, N (B, D, C, A) | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID | non-polymer | 238.3 | 4 | Chemie (EPE) | |||
| 6 | DA, GB, LA, Q (B, D, C, A) | (4~{a}~{S},8~{a}~{R})-4-[4-methoxy-3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one | non-polymer | 647.7 | 4 | Chemie (4I7) | |||
| 7 | XA, YA (D) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 2 | Chemie (PEG) | |||
| 8 | IB, JB, KB, LB (A, B, C, D) | water | water | 18.0 | 528 | 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 | 56 |
| Total formula weight | 6473.7 | |
| All* | Total formula weight | 173706.7 |
