› 4f9y

X-ray diffraction
1.85Å resolution

Human P38 alpha MAPK In Complex With a Novel and Selective Small Molecule Inhibitor

Released:
DOI: 10.2210/pdb4f9y/pdb
PDB entry 4f9y coloured by chain, front view.
PDB entry 4f9y coloured by chain, side view.
PDB entry 4f9y coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Development of Novel In Vivo Chemical Probes to Address CNS Protein Kinase Involvement in Synaptic Dysfunction.
Watterson DM, Grum-Tokars VL, Roy SM, Schavocky JP, Bradaric BD, Bachstetter AD, Xing B, Dimayuga E, Saeed F, Zhang H, Staniszewski A, Pelletier JC, Minasov G, Anderson WF, Arancio O, Van Eldik LJ
PLoS One 8 e66226 (2013)
PMID: 23840427

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-172487 (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: 43.96 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
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

4 bound ligands:
Ligand GG5 2 x GG5
Ligand LM3 1 x LM3
Ligand BME 2 x BME
Ligand PEG 1 x PEG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-G
Spacegroup: P212121
Unit cell:
a: 66.529Å b: 74.834Å c: 78.27Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.169 0.167 0.2
Expression system: Escherichia coli

Quick links

Citations

14 review citations

Rodent models for Alzheimer's disease drug discovery.
Puzzo et al. (2015)
13 more

8 mentions without citation

Development of Novel In Vivo Chemical Probes to Address CNS Protein Kinase Involvement in Synaptic Dysfunction.
Watterson et al. (2013)
7 more