4r3c

X-ray diffraction
2.06Å resolution

Crystal structure of p38 alpha MAP kinase in complex with a novel isoform selective drug candidate

Released:
Source organism: Homo sapiens
Entry authors: Grum-Tokars VL, Minasov G, Roy SM, Anderson WF, Watterson DM

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: 383 amino acids
Theoretical weight: 44.03 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

3 bound ligands:
1 modified residue:

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-F
Spacegroup: P212121
Unit cell:
a: 65.85Å b: 74.512Å c: 77.808Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.178 0.176 0.217
Expression system: Escherichia coli BL21(DE3)