› 4agd

X-ray diffraction
2.81Å resolution

CRYSTAL STRUCTURE OF VEGFR2 (JUXTAMEMBRANE AND KINASE DOMAINS) IN COMPLEX WITH SUNITINIB (SU11248) (N-2-diethylaminoethyl)-5-((Z)-(5- fluoro-2-oxo-1H-indol-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3- carboxamide)

Released:
DOI: 10.2210/pdb4agd/pdb
PDB entry 4agd coloured by chain, front view.
PDB entry 4agd coloured by chain, side view.
PDB entry 4agd 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: 353 amino acids
Theoretical weight: 40.26 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P35968 (Residues: 787-1171; Coverage: 25%)
Gene names: FLK1, KDR, VEGFR2
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand B49 1 x B49
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-D
Spacegroup: C2
Unit cell:
a: 134.694Å b: 56.98Å c: 52.72Å
α: 90° β: 94.34° γ: 90°
R-values:
R R work R free
0.21 0.21 0.307
Expression system: Spodoptera frugiperda

Quick links

Citations

17 review citations

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

32 mentions without citation

Structural Basis for Vascular Endothelial Growth Factor Receptor Activation and Implications for Disease Therapy.
Shaik et al. (2020)
31 more