› 6yk7

X-ray diffraction
1.9Å resolution

Crystal structure of p38 in complex with SR43

Released:
DOI: 10.2210/pdb6yk7/pdb
PDB entry 6yk7 coloured by chain, front view.
PDB entry 6yk7 coloured by chain, side view.
PDB entry 6yk7 coloured by chain, top view.
Source organism: Mus musculus
Primary publication:
Selective targeting of the αC and DFG-out pocket in p38 MAPK.
Röhm S, Schröder M, Dwyer JE, Widdowson CS, Chaikuad A, Berger BT, Joerger AC, Krämer A, Harbig J, Dauch D, Kudolo M, Laufer S, Bagley MC, Knapp S
Eur J Med Chem 208 112721 (2020)
PMID: 33035818

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 BL21(DE3)
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 OU2 1 x OU2
Ligand EDO 8 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P212121
Unit cell:
a: 65.349Å b: 74.83Å c: 77.199Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.186 0.183 0.235
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 review citation

Evaluation of Substituted Pyrazole-Based Kinase Inhibitors in One Decade (2011-2020): Current Status and Future Prospects.
El-Gamal et al. (2022)
1 other article

1 mention without citation

Amino-Pyrazoles in Medicinal Chemistry: A Review.
Lusardi et al. (2023)