› 8x3m

X-ray diffraction
1.85Å resolution

Crystal structure of p38alpha with an allosteric inhibitor 2

Released:
DOI: 10.2210/pdb8x3m/pdb
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PDB entry 8x3m coloured by chain, front view.
PDB entry 8x3m coloured by chain, side view.
PDB entry 8x3m coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Distinct binding modes of a benzothiazole derivative confer structural bases for increasing ERK2 or p38α MAPK selectivity.
Hasegawa S, Yoshida M, Nagao H, Sugiyama H, Sawa M, Kinoshita T
Biochem Biophys Res Commun 704 149707 (2024)
PMID: 38428305

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: 365 amino acids
Theoretical weight: 41.75 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

1 bound ligand:
Ligand B8Z 1 x B8Z
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: SPRING-8 BEAMLINE BL44XU
Spacegroup: P212121
Unit cell:
a: 45.366Å b: 85.5Å c: 125.669Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.183 0.181 0.226
Expression system: Escherichia coli BL21

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