3WF7
Crystal structure of S6K1 kinase domain in complex with a purine derivative 1-(9H-purin-6-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A | Ribosomal protein S6 kinase beta-1 | polymer | 329 | 37178.8 | 1 | UniProt (P23443) Pfam (PF00069) Pfam (PF00433) In PDB | 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 | A | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
3 | A | 1-(9H-purin-6-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide | non-polymer | 390.4 | 1 | Chemie (FS9) | |||
4 | A | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
5 | water | water | 18.0 | 226 | 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 | 3 |
Total formula weight | 547.9 | |
All* | Total formula weight | 37726.7 |