PDBe 3zsi

X-ray diffraction
2.4Å resolution

X-ray structure of p38alpha bound to VX-745

Released:
Source organism: Homo sapiens
Primary publication:
X-ray structure of p38α bound to TAK-715: comparison with three classic inhibitors.
Acta Crystallogr. D Biol. Crystallogr. 68 1041-50 (2012)
PMID: 22868770

Function and Biology Details

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Mitogen-activated protein kinase 14 Chain: A
Molecule details ›
Chain: A
Length: 362 amino acids
Theoretical weight: 41.49 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q16539 (Residues: 2-360; Coverage: 100%)
Gene names: CSBP, CSBP1, CSBP2, CSPB1, MAPK14, MXI2, SAPK2A
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

2 bound ligands:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P212121
Unit cell:
a: 65.55Å b: 73.65Å c: 76.57Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.234 0.232 0.271
Expression system: Escherichia coli BL21(DE3)