› 3e92

X-ray diffraction
2Å resolution

Crystal Structure of P38 Kinase in Complex with A Biaryl Amide Inhibitor

Released:
DOI: 10.2210/pdb3e92/pdb
PDB entry 3e92 coloured by chain, front view.
PDB entry 3e92 coloured by chain, side view.
PDB entry 3e92 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Kinase array design, back to front: biaryl amides.
Baldwin I, Bamborough P, Haslam CG, Hunjan SS, Longstaff T, Mooney CJ, Patel S, Quinn J, Somers DO
Bioorg Med Chem Lett 18 5285-9 (2008)
PMID: 18789685

Function and Biology Details

Reaction catalysed: 
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-172487 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Mitogen-activated protein kinase 14 Chain: A
Molecule details ›
Chain: A
Length: 371 amino acids
Theoretical weight: 42.67 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q16539 (Residues: 1-360; Coverage: 100%)
Gene names: CSBP, CSBP1, CSBP2, CSPB1, MAPK14, MXI2, SAPK2A
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand G6A 1 x G6A
Ligand GOL 4 x GOL
1 modified residue:
Ligand CSO 1 x CSO

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RUH2R
Spacegroup: P212121
Unit cell:
a: 45.516Å b: 86.224Å c: 124.191Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.174 0.172 0.216
Expression system: Escherichia coli

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Citations

11 citation in other articles

The design, synthesis, and evaluation of 8 hybrid DFG-out allosteric kinase inhibitors: a structural analysis of the binding interactions of Gleevec, Nexavar, and BIRB-796.
Dietrich et al. (2010)
10 more

6 mentions without citation

Atomic resolution studies of carbonic anhydrase II.
Behnke et al. (2010)
5 more