› 4kip

X-ray diffraction
2.27Å resolution

Crystal structure of mitogen-activated protein kinase 14 (P38-H5) complex with 2-(2-CHLOROPHENYL)-N-(5-(CYCLOPROPYLCARBAMOYL)-2-METHYLPHENYL)-1,3-THIAZOLE-5-CARBOXAMIDE

Released:
DOI: 10.2210/pdb4kip/pdb
PDB entry 4kip coloured by chain, front view.
PDB entry 4kip coloured by chain, side view.
PDB entry 4kip coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
The identification of novel p38α isoform selective kinase inhibitors having an unprecedented p38α binding mode.
Wrobleski ST, Lin S, Dhar TG, Dyckman AJ, Li T, Pitt S, Zhang R, Fan Y, Doweyko AM, Tokarski JS, Kish KF, Kiefer SE, Sack JS, Newitt JA, Witmer MR, McKinnon M, Barrish JC, Dodd JH, Schieven GL, Leftheris K
Bioorg Med Chem Lett 23 4120-6 (2013)
PMID: 23746475

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 Chains: A, B
Molecule details ›
Chains: A, B
Length: 366 amino acids
Theoretical weight: 42.11 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

1 bound ligand:
Ligand 1R9 2 x 1R9
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X29A
Spacegroup: P21
Unit cell:
a: 67.35Å b: 71.59Å c: 72.11Å
α: 90° β: 89.85° γ: 90°
R-values:
R R work R free
0.254 0.253 0.286
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Animal models of rheumatoid arthritis: How informative are they?
McNamee et al. (2015)
2 more

4 mentions without citation

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