› 5nkb

X-ray diffraction
1.5Å resolution

Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 4a

Released:
DOI: 10.2210/pdb5nkb/pdb
PDB entry 5nkb coloured by chain, front view.
PDB entry 5nkb coloured by chain, side view.
PDB entry 5nkb coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors.
Heinzlmeir S, Lohse J, Treiber T, Kudlinzki D, Linhard V, Gande SL, Sreeramulu S, Saxena K, Liu X, Wilhelm M, Schwalbe H, Kuster B, Médard G
ChemMedChem 12 999-1011 (2017)
PMID: 28544567

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-151387 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Ephrin type-A receptor 2 Chain: A
Molecule details ›
Chain: A
Length: 306 amino acids
Theoretical weight: 34.46 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P29317 (Residues: 596-900; Coverage: 32%)
Gene names: ECK, EPHA2
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand 8ZT 1 x 8ZT
Ligand EDO 2 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Spacegroup: P21
Unit cell:
a: 32.816Å b: 107.688Å c: 40.515Å
α: 90° β: 108.85° γ: 90°
R-values:
R R work R free
0.161 0.159 0.191
Expression system: Spodoptera frugiperda

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Citations

8 review citations

Targeting EphA2 in cancer.
Xiao et al. (2020)
7 more

1 mention without citation

Conformationally Programmable Chiral Foldamers with Compact and Extended Domains Controlled by Monomer Structure.
Lockhart et al. (2018)