PDBe 5o8v

X-ray diffraction
2Å resolution

Covalent Inhibitor 4a bound to the Lipid Pocket of p38alpha Mutant S251C

Source organism: Homo sapiens
Primary publication:
Covalent Lipid Pocket Ligands Targeting p38α MAPK Mutants.
Angew. Chem. Int. Ed. Engl. (2017)
PMID: 28834017

Function and Biology Details

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Mitogen-activated protein kinase 14 Chain: A
Molecule details ›
Chain: A
Length: 360 amino acids
Theoretical weight: 41.36 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
  • Canonical: Q16539 (Residues: 1-360; Coverage: 100%)
Gene names: CSBP, CSBP1, CSBP2, CSPB1, MAPK14, MXI2, SAPK2A
Sequence domains: Protein kinase domain

Ligands and Environments

1 bound ligand:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P212121
Unit cell:
a: 65.2Å b: 74.25Å c: 77.82Å
α: 90° β: 90° γ: 90°
R R work R free
0.209 0.206 0.269
Expression system: Escherichia coli