PDBe 4zth

X-ray diffraction
2.15Å resolution

Structure of human p38aMAPK-arylpyridazinylpyridine fragment complex used in inhibitor discovery

Released:
Source organism: Homo sapiens
Entry authors: Grum-Tokars VL, Roy SM, 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: 43.96 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
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:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-F
Spacegroup: P212121
Unit cell:
a: 65.767Å b: 74.501Å c: 77.669Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.184 0.181 0.24
Expression system: Escherichia coli