› 3hv4

X-ray diffraction
2.6Å resolution

Human p38 MAP Kinase in Complex with RL51

Released:
DOI: 10.2210/pdb3hv4/pdb
PDB entry 3hv4 coloured by chain, front view.
PDB entry 3hv4 coloured by chain, side view.
PDB entry 3hv4 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Displacement assay for the detection of stabilizers of inactive kinase conformations.
Klüter S, Grütter C, Naqvi T, Rabiller M, Simard JR, Pawar V, Getlik M, Rauh D
J Med Chem 53 357-67 (2010)
PMID: 19928858

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-172487 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Mitogen-activated protein kinase 14 Chains: A, B
Molecule details ›
Chains: A, B
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 L51 2 x L51
Ligand BOG 3 x BOG
Ligand MES 1 x MES
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P21
Unit cell:
a: 70.64Å b: 74.06Å c: 72Å
α: 90° β: 93.9° γ: 90°
R-values:
R R work R free
0.197 0.194 0.271
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Proteus in the world of proteins: conformational changes in protein kinases.
Rabiller et al. (2010)
2 more

4 mentions without citation

Insights from free-energy calculations: protein conformational equilibrium, driving forces, and ligand-binding modes.
Huang et al. (2012)
3 more