› 4ag8

X-ray diffraction
1.95Å resolution

CRYSTAL STRUCTURE OF THE VEGFR2 KINASE DOMAIN IN COMPLEX WITH AXITINIB (AG-013736) (N-Methyl-2-(3-((E)-2-pyridin-2-yl-vinyl)-1H- indazol-6-ylsulfanyl)-benzamide)

Released:
DOI: 10.2210/pdb4ag8/pdb
PDB entry 4ag8 coloured by chain, front view.
PDB entry 4ag8 coloured by chain, side view.
PDB entry 4ag8 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Molecular conformations, interactions, and properties associated with drug efficiency and clinical performance among VEGFR TK inhibitors.
McTigue M, Murray BW, Chen JH, Deng YL, Solowiej J, Kania RS
Proc Natl Acad Sci U S A 109 18281-9 (2012)
PMID: 22988103

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-153084 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Vascular endothelial growth factor receptor 2 Chain: A
Molecule details ›
Chain: A
Length: 316 amino acids
Theoretical weight: 36.19 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P35968 (Residues: 806-1171; Coverage: 24%)
Gene names: FLK1, KDR, VEGFR2
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200
Spacegroup: C2
Unit cell:
a: 135.66Å b: 57.221Å c: 51.829Å
α: 90° β: 93.44° γ: 90°
R-values:
R R work R free
0.197 0.195 0.242
Expression system: Spodoptera frugiperda

Quick links

Citations

17 review citations

FDA-approved small-molecule kinase inhibitors.
Wu et al. (2015)
16 more

33 mentions without citation

Impact of the Protein Data Bank on antineoplastic approvals.
Westbrook et al. (2020)
32 more