› 9cj5

X-ray diffraction
3.3Å resolution

Unphosphorylated human p38 alpha bound to pexmetinib

Released:
DOI: 10.2210/pdb9cj5/pdb
Model geometry
Fit model/data
PDB entry 9cj5 coloured by chain, front view.
PDB entry 9cj5 coloured by chain, side view.
PDB entry 9cj5 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Dual-Action Kinase Inhibitors Influence p38α MAP Kinase Dephosphorylation.
Stadnicki EJ, Ludewig H, Kumar RP, Wang X, Qiao Y, Kern D, Bradshaw N
bioRxiv (2024)
PMID: 39149408

Function and Biology Details

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

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: 360 amino acids
Theoretical weight: 41.34 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: Q16539 (Residues: 1-360; Coverage: 100%)
Gene names: CSBP, CSBP1, CSBP2, CSPB1, MAPK14, MXI2, SAPK2A
Sequence domains: Protein kinase domain

Ligands and Environments

3 bound ligands:
Ligand EDO 4 x EDO
Ligand A1AWV 1 x A1AWV
Ligand PDO 1 x PDO
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: ALS BEAMLINE 8.2.2
Spacegroup: P41
Unit cell:
a: 44.855Å b: 44.855Å c: 215.906Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.247 0.246 0.276
Expression system: Escherichia coli BL21

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