› 3zya

X-ray diffraction
1.9Å resolution

Human p38 MAP Kinase in Complex with 2-amino-phenylamino- dibenzosuberone

Released:
DOI: 10.2210/pdb3zya/pdb
PDB 3zya coloured by chain and viewed from the front.
PDB 3zya coloured by chain and viewed from the side.
PDB 3zya coloured by chain and viewed from the top.
Source organism: Homo sapiens
Primary publication:
Skepinone-L is a selective p38 mitogen-activated protein kinase inhibitor.
Koeberle SC, Romir J, Fischer S, Koeberle A, Schattel V, Albrecht W, Grütter C, Werz O, Rauh D, Stehle T, Laufer SA
Nat Chem Biol 8 141-3 (2011)
PMID: 22198732

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)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Mitogen-activated protein kinase 14 Chain: A
Molecule details ›
Chain: A
Length: 366 amino acids
Theoretical weight: 42 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q16539 (Residues: 1-360; Coverage: 100%)
Gene names: CSBP, CSBP1, CSBP2, CSPB1, MAPK14, MXI2, SAPK2A
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 2A8 1 x 2A8
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: P212121
Unit cell:
a: 47.155Å b: 51.863Å c: 167.881Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.172 0.171 0.209
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

9 review citations

Biological evaluation of benzosuberones.
Behbehani et al. (2018)
8 more

2 mentions without citation

Multi-Body Interactions in Molecular Docking Program Devised with Key Water Molecules in Protein Binding Sites.
Xiao et al. (2018)
1 more