› 4mxo

X-ray diffraction
2.1Å resolution

human Src kinase bound to kinase inhibitor bosutinib

Released:
DOI: 10.2210/pdb4mxo/pdb
PDB entry 4mxo coloured by chain, front view.
PDB entry 4mxo coloured by chain, side view.
PDB entry 4mxo coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
A conserved water-mediated hydrogen bond network defines bosutinib's kinase selectivity.
Levinson NM, Boxer SG
Nat Chem Biol 10 127-32 (2014)
PMID: 24292070

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-146379 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Proto-oncogene tyrosine-protein kinase Src Chains: A, B
Molecule details ›
Chains: A, B
Length: 286 amino acids
Theoretical weight: 32.71 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P12931 (Residues: 254-536; Coverage: 53%)
Gene names: SRC, SRC1
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand DB8 2 x DB8
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL11-1
Spacegroup: P1
Unit cell:
a: 41.87Å b: 63.185Å c: 73.665Å
α: 79.53° β: 89.31° γ: 90.05°
R-values:
R R work R free
0.212 0.21 0.254
Expression system: Escherichia coli

Quick links

Citations

13 review citations

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

26 mentions without citation

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