› 2vwv

X-ray diffraction
1.9Å resolution

ephB4 kinase domain inhibitor complex

Released:
DOI: 10.2210/pdb2vwv/pdb
PDB entry 2vwv coloured by chain, front view.
PDB entry 2vwv coloured by chain, side view.
PDB entry 2vwv coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Inhibitors of the tyrosine kinase EphB4. Part 1: Structure-based design and optimization of a series of 2,4-bis-anilinopyrimidines.
Bardelle C, Cross D, Davenport S, Kettle JG, Ko EJ, Leach AG, Mortlock A, Read J, Roberts NJ, Robins P, Williams EJ
Bioorg Med Chem Lett 18 2776-80 (2008)
PMID: 18434142

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-157090 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Ephrin type-B receptor 4 Chain: A
Molecule details ›
Chain: A
Length: 302 amino acids
Theoretical weight: 33.93 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P54760 (Residues: 598-899; Coverage: 31%)
Gene names: EPHB4, HTK, MYK1, TYRO11
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 7X3 1 x 7X3
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007
Spacegroup: P21
Unit cell:
a: 47.154Å b: 52.872Å c: 57.09Å
α: 90° β: 110.06° γ: 90°
R-values:
R R work R free
0.241 0.238 0.287
Expression system: Spodoptera frugiperda

Quick links

Citations

7 review citations

Eph receptors and ephrins in cancer: bidirectional signalling and beyond.
Pasquale EB. (2010)
6 more

1 mention without citation

Predicting new indications for approved drugs using a proteochemometric method.
Dakshanamurthy et al. (2012)