› 4g2f

X-ray diffraction
1.7Å resolution

Human EphA3 kinase domain in complex with compound 7

Released:
DOI: 10.2210/pdb4g2f/pdb
PDB entry 4g2f coloured by chain, front view.
PDB entry 4g2f coloured by chain, side view.
PDB entry 4g2f coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of a novel chemotype of tyrosine kinase inhibitors by fragment-based docking and molecular dynamics.
Zhao H, Dong J, Lafleur K, Nevado C, Caflisch A
ACS Med Chem Lett 3 834-8 (2012)
PMID: 24900387

Function and Biology Details

Reaction catalysed: 
ATP + a [protein]-L-tyrosine = ADP + a [protein]-L-tyrosine phosphate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-151400 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Ephrin type-A receptor 3 Chain: A
Molecule details ›
Chain: A
Length: 361 amino acids
Theoretical weight: 40.46 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P29320 (Residues: 606-947; Coverage: 36%)
Gene names: EPHA3, ETK, ETK1, HEK, TYRO4
Sequence domains:
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand C07 1 x C07
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06DA
Spacegroup: P21
Unit cell:
a: 53.068Å b: 38.242Å c: 75.841Å
α: 90° β: 101.59° γ: 90°
R-values:
R R work R free
0.18 0.179 0.208
Expression system: Escherichia coli

Quick links

Citations

5 review citations

Molecular dynamics in drug design.
Zhao et al. (2015)
4 more

2 mentions without citation

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