› 2lgc

Solution NMR

Joint NMR and X-ray refinement reveals the structure of a novel dibenzo[a,d]cycloheptenone inhibitor/p38 MAP kinase complex in solution

Released:
DOI: 10.2210/pdb2lgc/pdb
PDB entry 2lgc coloured by chain, ensemble of 10 models, front view.
PDB entry 2lgc coloured by chain, ensemble of 10 models, side view.
PDB entry 2lgc coloured by chain, ensemble of 10 models, top view.
Source organism: Homo sapiens
Primary publication:
Inferential NMR/X-ray-based structure determination of a dibenzo[a,d]cycloheptenone inhibitor-p38α MAP kinase complex in solution.
Honndorf VS, Coudevylle N, Laufer S, Becker S, Griesinger C, Habeck M
Angew Chem Int Ed Engl 51 2359-62 (2012)
PMID: 22275118

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: 359 amino acids
Theoretical weight: 41.21 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q16539 (Residues: 2-354; Coverage: 98%)
Gene names: CSBP, CSBP1, CSBP2, CSPB1, MAPK14, MXI2, SAPK2A
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
Chemical shift assignment: 22%
Refinement method: torsion angle dynamics, sampling
Expression system: Escherichia coli

Quick links

Citations

3 citation in other articles

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

1 mention without citation

DFGmodel: predicting protein kinase structures in inactive states for structure-based discovery of type-II inhibitors.
Ung et al. (2015)