› 3huc

X-ray diffraction
1.8Å resolution

Human p38 MAP Kinase in Complex with RL40

Released:
DOI: 10.2210/pdb3huc/pdb
PDB entry 3huc coloured by chain, front view.
PDB entry 3huc coloured by chain, side view.
PDB entry 3huc coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Fluorophore labeling of the glycine-rich loop as a method of identifying inhibitors that bind to active and inactive kinase conformations.
Simard JR, Getlik M, Grütter C, Schneider R, Wulfert S, Rauh D
J Am Chem Soc 132 4152-60 (2010)
PMID: 20201574

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-556911 (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: 41.27 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q16539 (Residues: 2-360; Coverage: 100%)
Gene names: CSBP, CSBP1, CSBP2, CSPB1, MAPK14, MXI2, SAPK2A
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand BOG 1 x BOG
Ligand G97 1 x G97
Ligand MES 1 x MES
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P212121
Unit cell:
a: 69.35Å b: 69.83Å c: 74.42Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.196 0.195 0.232
Expression system: Escherichia coli

Quick links

Citations

4 review citations

Exploration of type II binding mode: A privileged approach for kinase inhibitor focused drug discovery?
Zhao et al. (2014)
3 more

1 mention without citation

p38α Mitogen-Activated Protein Kinase Is a Druggable Target in Pancreatic Adenocarcinoma.
Yang et al. (2019)