8a6f

X-ray diffraction
1.6Å resolution

Small molecule stabilizer (compound 8) for C-RAF and 14-3-3

Released:

Function and Biology Details

Reaction catalysed:
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Cellular component:

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
PDBe Complex ID:
PDB-CPX-137340 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
14-3-3 protein sigma Chain: A
Molecule details ›
Chain: A
Length: 236 amino acids
Theoretical weight: 26.54 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P31947 (Residues: 1-231; Coverage: 93%)
Gene names: HME1, SFN
Sequence domains: 14-3-3 protein
RAF proto-oncogene serine/threonine-protein kinase Chain: P
Molecule details ›
Chain: P
Length: 11 amino acids
Theoretical weight: 1.21 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: P04049 (Residues: 255-264; Coverage: 2%)
Gene names: RAF, RAF1

Ligands and Environments

3 bound ligands:
1 modified residue:

Experiments and Validation Details

Entry percentile scores
X-ray source: PETRA III, DESY BEAMLINE P11
Spacegroup: C2221
Unit cell:
a: 82.944Å b: 112.909Å c: 62.794Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.163 0.162 0.181
Expression systems:
  • Escherichia coli
  • Not provided