› 5r97

X-ray diffraction
1.44Å resolution

PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13662a in complex with MAP kinase p38-alpha

Released:
DOI: 10.2210/pdb5r97/pdb
PDB 5r97 coloured by chain and viewed from the front.
PDB 5r97 coloured by chain and viewed from the side.
PDB 5r97 coloured by chain and viewed from the top.
Source organism: Mus musculus
Primary publication:
Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1β-IL1R and p38α-TAB1 Complexes.
Nichols C, Ng J, Keshu A, Kelly G, Conte MR, Marber MS, Fraternali F, De Nicola GF
J Med Chem 63 7559-7568 (2020)
PMID: 32543856

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)
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: 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

4 bound ligands:
Ligand RUY 1 x RUY
Ligand CL 4 x CL
Ligand SO4 5 x SO4
Ligand MG 1 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: P212121
Unit cell:
a: 46.085Å b: 86.641Å c: 127.035Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.178 0.178 0.187
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Diversity and versatility of p38 kinase signalling in health and disease.
Canovas et al. (2021)