› 3nnx

X-ray diffraction
2.28Å resolution

Crystal structure of phosphorylated P38 alpha in complex with DP802

Released:
DOI: 10.2210/pdb3nnx/pdb
PDB entry 3nnx coloured by chain, front view.
PDB entry 3nnx coloured by chain, side view.
PDB entry 3nnx coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region.
Ahn YM, Clare M, Ensinger CL, Hood MM, Lord JW, Lu WP, Miller DF, Patt WC, Smith BD, Vogeti L, Kaufman MD, Petillo PA, Wise SC, Abendroth J, Chun L, Clark R, Feese M, Kim H, Stewart L, Flynn DL
Bioorg Med Chem Lett 20 5793-8 (2010)
PMID: 20800479

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: 354 amino acids
Theoretical weight: 40.69 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q16539 (Residues: 1-354; Coverage: 98%)
Gene names: CSBP, CSBP1, CSBP2, CSPB1, MAPK14, MXI2, SAPK2A
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand EDD 1 x EDD
1 modified residue:
Ligand PTR 1 x PTR

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.3
Spacegroup: C2
Unit cell:
a: 87.825Å b: 62.723Å c: 90.13Å
α: 90° β: 110.74° γ: 90°
R-values:
R R work R free
0.222 0.218 0.285
Expression system: Spodoptera frugiperda

Quick links

Citations

3 review citations

Targeted therapy in GIST: in silico modeling for prediction of resistance.
Pierotti et al. (2011)
2 more

4 mentions without citation

Structural and evolutionary divergence of eukaryotic protein kinases in Apicomplexa.
Talevich et al. (2011)
3 more