› 4hvs

X-ray diffraction
1.9Å resolution

Crystal structure of KIT kinase domain with a small molecule inhibitor, PLX647

Released:
DOI: 10.2210/pdb4hvs/pdb
PDB entry 4hvs coloured by chain, front view.
PDB entry 4hvs coloured by chain, side view.
PDB entry 4hvs coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Design and pharmacology of a highly specific dual FMS and KIT kinase inhibitor.
Zhang C, Ibrahim PN, Zhang J, Burton EA, Habets G, Zhang Y, Powell B, West BL, Matusow B, Tsang G, Shellooe R, Carias H, Nguyen H, Marimuthu A, Zhang KY, Oh A, Bremer R, Hurt CR, Artis DR, Wu G, Nespi M, Spevak W, Lin P, Nolop K, Hirth P, Tesch GH, Bollag G
Proc Natl Acad Sci U S A 110 5689-94 (2013)
PMID: 23493555

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

Assemblies composition:
monomeric (preferred)
homo dimer
Assembly name:
PDBe Complex ID:
PDB-CPX-145426 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Mast/stem cell growth factor receptor Kit Chain: A
Molecule details ›
Chain: A
Length: 335 amino acids
Theoretical weight: 38.04 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P10721 (Residues: 551-934; Coverage: 34%)
Gene names: KIT, SCFR
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 647 1 x 647
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.3.1
Spacegroup: C2
Unit cell:
a: 110.735Å b: 81.863Å c: 50.055Å
α: 90° β: 107.81° γ: 90°
R-values:
R R work R free
0.2 0.199 0.227
Expression system: Escherichia coli

Quick links

Citations

11 review citations

Tumor-associated macrophages: implications in cancer immunotherapy.
Petty et al. (2017)
10 more

13 mentions without citation

Discoidin domain receptor 1 (DDR1) kinase as target for structure-based drug discovery.
Kothiwale et al. (2015)
12 more