› 2qd9

X-ray diffraction
1.7Å resolution

P38 Alpha Map Kinase inhibitor based on heterobicyclic scaffolds

Released:
DOI: 10.2210/pdb2qd9/pdb
PDB 2qd9 coloured by chain and viewed from the front.
PDB 2qd9 coloured by chain and viewed from the side.
PDB 2qd9 coloured by chain and viewed from the top.
Source organism: Homo sapiens
Entry author: Sack JS

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)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Mitogen-activated protein kinase 14 Chain: A
Molecule details ›
Chain: A
Length: 366 amino acids
Theoretical weight: 42.11 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 LGF 1 x LGF
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P212121
Unit cell:
a: 65.65Å b: 74.36Å c: 78.98Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.252 0.251 0.282
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Kinase inhibitors as potential agents in the treatment of multiple myeloma.
Abramson HN. (2016)
2 more

6 mentions without citation

Directory of useful decoys, enhanced (DUD-E): better ligands and decoys for better benchmarking.
Mysinger et al. (2012)
5 more