› 4n0s

X-ray diffraction
1.8Å resolution

Complex of ERK2 with caffeic acid

Released:
DOI: 10.2210/pdb4n0s/pdb
PDB entry 4n0s coloured by chain, front view.
PDB entry 4n0s coloured by chain, side view.
PDB entry 4n0s coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Caffeic acid directly targets ERK1/2 to attenuate solar UV-induced skin carcinogenesis.
Yang G, Fu Y, Malakhova M, Kurinov I, Zhu F, Yao K, Li H, Chen H, Li W, Lim DY, Sheng Y, Bode AM, Dong Z, Dong Z
Cancer Prev Res (Phila) 7 1056-66 (2014)
PMID: 25104643

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-151230 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Mitogen-activated protein kinase 1 Chain: A
Molecule details ›
Chain: A
Length: 360 amino acids
Theoretical weight: 41.75 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P28482 (Residues: 1-360; Coverage: 100%)
Gene names: ERK2, MAPK1, PRKM1, PRKM2
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

4 bound ligands:
Ligand DHC 1 x DHC
Ligand SO4 3 x SO4
Ligand PEG 1 x PEG
Ligand DMS 2 x DMS
1 modified residue:
Ligand CME 4 x CME

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 24-ID-E
Spacegroup: P21
Unit cell:
a: 48.748Å b: 69.932Å c: 59.989Å
α: 90° β: 109.16° γ: 90°
R-values:
R R work R free
0.156 0.154 0.189
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

7 review citations

The Potential of Plant Phenolics in Prevention and Therapy of Skin Disorders.
Działo et al. (2016)
6 more

6 mentions without citation

Therapeutic Implications of Caffeic Acid in Cancer and Neurological Diseases.
Alam et al. (2022)
5 more