› 7be5

X-ray diffraction
1.8Å resolution

Crystal structure of MAP kinase p38 alpha in complex with inhibitor SR276

Released:
DOI: 10.2210/pdb7be5/pdb
PDB entry 7be5 coloured by chain, front view.
PDB entry 7be5 coloured by chain, side view.
PDB entry 7be5 coloured by chain, top view.
Source organism: Mus musculus
Primary publication:
Development of a Selective Dual Discoidin Domain Receptor (DDR)/p38 Kinase Chemical Probe.
Röhm S, Berger BT, Schröder M, Chatterjee D, Mathea S, Joerger AC, Pinkas DM, Bufton JC, Tjaden A, Kovooru L, Kudolo M, Pohl C, Bullock AN, Müller S, Laufer S, Knapp S
J Med Chem 64 13451-13474 (2021)
PMID: 34506142

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-155650 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Mitogen-activated protein kinase 14 Chain: A
Molecule details ›
Chain: A
Length: 361 amino acids
Theoretical weight: 41.4 KDa
Source organism: Mus musculus
Expression system: Escherichia coli
UniProt:
  • Canonical: P47811 (Residues: 1-360; Coverage: 100%)
Gene names: Crk1, Csbp1, Csbp2, Mapk14
Sequence domains: Protein kinase domain

Ligands and Environments

2 bound ligands:
Ligand EDO 2 x EDO
Ligand TKB 1 x TKB
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: P212121
Unit cell:
a: 65.662Å b: 72.971Å c: 76.162Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.187 0.185 0.222
Expression system: Escherichia coli

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