› 3en4

X-ray diffraction
2.55Å resolution

Targeted polypharmacology: crystal structure of the c-Src kinase domain in complex with PP121, a multitargeted kinase inhibitor

Released:
DOI: 10.2210/pdb3en4/pdb
PDB entry 3en4 coloured by chain, front view.
PDB entry 3en4 coloured by chain, side view.
PDB entry 3en4 coloured by chain, top view.
Source organism: Gallus gallus
Primary publication:
Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
Apsel B, Blair JA, Gonzalez B, Nazif TM, Feldman ME, Aizenstein B, Hoffman R, Williams RL, Shokat KM, Knight ZA
Nat Chem Biol 4 691-9 (2008)
PMID: 18849971

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-132629 (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: 32.73 KDa
Source organism: Gallus gallus
Expression system: Escherichia coli
UniProt:
  • Canonical: P00523 (Residues: 251-533; Coverage: 53%)
Gene name: SRC
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand KS1 2 x KS1
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.2.1
Spacegroup: P1
Unit cell:
a: 42.37Å b: 63.143Å c: 73.938Å
α: 100.63° β: 88.68° γ: 90.4°
R-values:
R R work R free
0.201 0.198 0.255
Expression system: Escherichia coli

Quick links

Citations

80 review citations

Targeting the phosphoinositide 3-kinase pathway in cancer.
Liu et al. (2009)
79 more

8 mentions without citation

The azaindole framework in the design of kinase inhibitors.
Mérour et al. (2014)
7 more