› 5r92

X-ray diffraction
1.66Å resolution

PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment KCL063 in complex with MAP kinase p38-alpha

Released:
DOI: 10.2210/pdb5r92/pdb
PDB entry 5r92 coloured by chain, front view.
PDB entry 5r92 coloured by chain, side view.
PDB entry 5r92 coloured by chain, top view.
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:
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: 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

6 bound ligands:
Ligand SO7 1 x SO7
Ligand CL 5 x CL
Ligand MG 1 x MG
Ligand SO4 1 x SO4
Ligand DMS 1 x DMS
Ligand ACT 1 x ACT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: P212121
Unit cell:
a: 45.786Å b: 86.102Å c: 127.142Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.183 0.182 0.205
Expression system: Escherichia coli

Quick links

Citations

2 review citations

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