› 5fd2

X-ray diffraction
2.89Å resolution

B-Raf wild-type kinase domain in complex with a purinylpyridinylamino-based inhibitor

Released:
DOI: 10.2210/pdb5fd2/pdb
PDB entry 5fd2 coloured by chain, front view.
PDB entry 5fd2 coloured by chain, side view.
PDB entry 5fd2 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Purinylpyridinylamino-based DFG-in/αC-helix-out B-Raf inhibitors: Applying mutant versus wild-type B-Raf selectivity indices for compound profiling.
Liu L, Lee MR, Kim JL, Whittington DA, Bregman H, Hua Z, Lewis RT, Martin MW, Nishimura N, Potashman M, Yang K, Yi S, Vaida KR, Epstein LF, Babij C, Fernando M, Carnahan J, Norman MH
Bioorg Med Chem 24 2215-34 (2016)
PMID: 27085672

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-147199 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine/threonine-protein kinase B-raf Chains: A, B
Molecule details ›
Chains: A, B
Length: 300 amino acids
Theoretical weight: 34.53 KDa
Source organism: Homo sapiens
Expression system: Trichoplusia ni
UniProt:
  • Canonical: P15056 (Residues: 433-726; Coverage: 38%)
Gene names: BRAF, BRAF1, RAFB1
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 5XJ 2 x 5XJ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: CLSI BEAMLINE 08ID-1
Spacegroup: C2221
Unit cell:
a: 73.79Å b: 80.088Å c: 245.253Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.216 0.213 0.278
Expression system: Trichoplusia ni

Quick links

Citations

2 review citations

New Approaches to Targeted Therapy in Melanoma.
Fernandez et al. (2023)
1 more

1 mention without citation

Architecture of autoinhibited and active BRAF-MEK1-14-3-3 complexes.
Park et al. (2019)