› 3mpt

X-ray diffraction
1.89Å resolution

Crystal structure of P38 kinase in complex with a pyrrole-2-carboxamide inhibitor

Released:
DOI: 10.2210/pdb3mpt/pdb
PDB entry 3mpt coloured by chain, front view.
PDB entry 3mpt coloured by chain, side view.
PDB entry 3mpt coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
The discovery and initial optimisation of pyrrole-2-carboxamides as inhibitors of p38alpha MAP kinase.
Down K, Bamborough P, Alder C, Campbell A, Christopher JA, Gerelle M, Ludbrook S, Mallett D, Mellor G, Miller DD, Pearson R, Ray K, Solanke Y, Somers D
Bioorg Med Chem Lett 20 3936-40 (2010)
PMID: 20570148

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: 371 amino acids
Theoretical weight: 42.65 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
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 1GK 1 x 1GK
Ligand GOL 3 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007
Spacegroup: P212121
Unit cell:
a: 45.376Å b: 85.859Å c: 124.463Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.239 0.236 0.298
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Recent approaches in the organocatalytic synthesis of pyrroles.
Borah et al. (2021)
1 more

1 mention without citation

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