PDBe 3we4

X-ray diffraction
2Å resolution

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

Released:

Function and Biology Details

Reaction catalysed:
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Ribosomal protein S6 kinase beta-1 Chain: A
Molecule details ›
Chain: A
Length: 329 amino acids
Theoretical weight: 37.18 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P23443 (Residues: 78-399; Coverage: 61%)
Gene names: RPS6KB1, STK14A
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

2 bound ligands:

1 modified residue:

Experiments and Validation Details

Entry percentile scores
X-ray source: PHOTON FACTORY BEAMLINE BL-1A
Spacegroup: P41212
Unit cell:
a: 70.93Å b: 70.93Å c: 146.861Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.177 0.175 0.231
Expression system: Spodoptera frugiperda