› 4r3c

X-ray diffraction
2.06Å resolution

Crystal structure of p38 alpha MAP kinase in complex with a novel isoform selective drug candidate

Released:
DOI: 10.2210/pdb4r3c/pdb
PDB 4r3c coloured by chain and viewed from the front.
PDB 4r3c coloured by chain and viewed from the side.
PDB 4r3c coloured by chain and viewed from the top.
Source organism: Homo sapiens
Entry authors: Grum-Tokars VL, Minasov G, Roy SM, Anderson WF, Watterson DM

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: 383 amino acids
Theoretical weight: 44.03 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

3 bound ligands:
Ligand GG5 1 x GG5
Ligand 3GF 2 x 3GF
Ligand CL 1 x CL
1 modified residue:
Ligand CME 1 x CME

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-F
Spacegroup: P212121
Unit cell:
a: 65.85Å b: 74.512Å c: 77.808Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.178 0.176 0.217
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

13 review citations

Diversity and versatility of p38 kinase signalling in health and disease.
Canovas et al. (2021)
12 more

3 mentions without citation

Targeting human central nervous system protein kinases: An isoform selective p38αMAPK inhibitor that attenuates disease progression in Alzheimer's disease mouse models.
Roy et al. (2015)
2 more