› 3zbf

X-ray diffraction
2.2Å resolution

Structure of Human ROS1 Kinase Domain in Complex with Crizotinib

Released:
DOI: 10.2210/pdb3zbf/pdb
PDB entry 3zbf coloured by chain, front view.
PDB entry 3zbf coloured by chain, side view.
PDB entry 3zbf coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Acquired resistance to crizotinib from a mutation in CD74-ROS1.
Awad MM, Katayama R, McTigue M, Liu W, Deng YL, Brooun A, Friboulet L, Huang D, Falk MD, Timofeevski S, Wilner KD, Lockerman EL, Khan TM, Mahmood S, Gainor JF, Digumarthy SR, Stone JR, Mino-Kenudson M, Christensen JG, Iafrate AJ, Engelman JA, Shaw AT
N Engl J Med 368 2395-401 (2013)
PMID: 23724914

Function and Biology Details

Reaction catalysed: 
ATP + a [protein]-L-tyrosine = ADP + a [protein]-L-tyrosine phosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-140437 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Proto-oncogene tyrosine-protein kinase ROS Chain: A
Molecule details ›
Chain: A
Length: 322 amino acids
Theoretical weight: 37.01 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P08922 (Residues: 1934-2232; Coverage: 13%)
Gene names: MCF3, ROS, ROS1
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: CLSI BEAMLINE 08ID-1
Spacegroup: P64
Unit cell:
a: 106.854Å b: 106.854Å c: 50.357Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.236 0.233 0.282
Expression system: Spodoptera frugiperda

Quick links

Citations

101 review citations

The biology and management of non-small cell lung cancer.
Herbst et al. (2018)
100 more

27 mentions without citation

Recent Advances in Targeting ROS1 in Lung Cancer.
Lin et al. (2017)
26 more