› 3gcu

X-ray diffraction
2.1Å resolution

Human P38 MAP kinase in complex with RL48

Released:
DOI: 10.2210/pdb3gcu/pdb
PDB entry 3gcu coloured by chain, front view.
PDB entry 3gcu coloured by chain, side view.
PDB entry 3gcu coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Development of a fluorescent-tagged kinase assay system for the detection and characterization of allosteric kinase inhibitors.
Simard JR, Getlik M, Grütter C, Pawar V, Wulfert S, Rabiller M, Rauh D
J Am Chem Soc 131 13286-96 (2009)
PMID: 19572644

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:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-556912 (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 R48 2 x R48
Ligand BOG 4 x BOG
Ligand MES 1 x MES
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BRUKER AXS MICROSTAR
Spacegroup: P21
Unit cell:
a: 70.47Å b: 74.09Å c: 71.71Å
α: 90° β: 93.76° γ: 90°
R-values:
R R work R free
0.19 0.189 0.235
Expression system: Escherichia coli

Quick links

Citations

10 review citations

FDA-approved small-molecule kinase inhibitors.
Wu et al. (2015)
9 more

4 mentions without citation

Data-Driven Construction of Antitumor Agents with Controlled Polypharmacology.
Da et al. (2019)
3 more