› 1m7q

X-ray diffraction
2.4Å resolution

Crystal structure of p38 MAP kinase in complex with a dihydroquinazolinone inhibitor

Released:
DOI: 10.2210/pdb1m7q/pdb
PDB entry 1m7q coloured by chain, front view.
PDB entry 1m7q coloured by chain, side view.
PDB entry 1m7q coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Design and synthesis of potent, orally bioavailable dihydroquinazolinone inhibitors of p38 MAP kinase.
Stelmach JE, Liu L, Patel SB, Pivnichny JV, Scapin G, Singh S, Hop CE, Wang Z, Strauss JR, Cameron PM, Nichols EA, O'Keefe SJ, O'Neill EA, Schmatz DM, Schwartz CD, Thompson CM, Zaller DM, Doherty JB
Bioorg Med Chem Lett 13 277-80 (2003)
PMID: 12482439

Function and Biology Details

Reaction catalysed: 
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

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: 366 amino acids
Theoretical weight: 42 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q16539 (Residues: 1-360; 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 SO4 1 x SO4
Ligand DQO 1 x DQO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P212121
Unit cell:
a: 45.516Å b: 87.163Å c: 124.939Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.217 0.217 0.254
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

9 review citations

Kinase inhibitors and airway inflammation.
Adcock et al. (2006)
8 more

12 mentions without citation

Structure-activity relationships and X-ray structures describing the selectivity of aminopyrazole inhibitors for c-Jun N-terminal kinase 3 (JNK3) over p38.
Kamenecka et al. (2009)
11 more