› 4eh8

X-ray diffraction
2.2Å resolution

Human p38 MAP kinase in complex with NP-F7 and RL87

Released:
DOI: 10.2210/pdb4eh8/pdb
PDB entry 4eh8 coloured by chain, front view.
PDB entry 4eh8 coloured by chain, side view.
PDB entry 4eh8 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Natural-product-derived fragments for fragment-based ligand discovery.
Over B, Wetzel S, Grütter C, Nakai Y, Renner S, Rauh D, Waldmann H
Nat Chem 5 21-8 (2013)
PMID: 23247173

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: 360 amino acids
Theoretical weight: 41.27 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
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

2 bound ligands:
Ligand IRG 1 x IRG
Ligand 0OP 2 x 0OP
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P212121
Unit cell:
a: 64.66Å b: 74.44Å c: 76.87Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.242 0.24 0.282
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

31 review citations

Counting on natural products for drug design.
Rodrigues et al. (2016)
30 more

3 mentions without citation

p38α Mitogen-Activated Protein Kinase Is a Druggable Target in Pancreatic Adenocarcinoma.
Yang et al. (2019)
2 more