3WE4
Crystal structure of S6K1 kinase domain in complex with a pyrimidine derivative PF-4708671 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Ribosomal protein S6 kinase beta-1 | polymer | 329 | 37178.8 | 1 | UniProt (P23443) Pfam (PF00069) Pfam (PF00433) | Homo sapiens (human) | S6K-beta-1, S6K1, 70 kDa ribosomal protein S6 kinase 1, Ribosomal protein S6 kinase I, Serine/threonine-protein kinase 14A, p70 ribosomal S6 kinase alpha |
| 2 | B (A) | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 3 | C (A) | 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole | non-polymer | 390.4 | 1 | Chemie (5FI) | |||
| 4 | D (A) | water | water | 18.0 | 183 | Chemie (HOH) |
Sequence modifications
A: 78 - 399 (UniProt: P23443)
| PDB | External Database | Details |
|---|---|---|
| Gly 71 | - | expression tag |
| Ser 72 | - | expression tag |
| Phe 73 | - | expression tag |
| Thr 74 | - | expression tag |
| Ser 75 | - | expression tag |
| Ser 76 | - | expression tag |
| Gly 77 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 37178.8 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 455.8 | |
| All* | Total formula weight | 37634.6 |
