› 3f3w

X-ray diffraction
2.6Å resolution

Drug resistant cSrc kinase domain in complex with inhibitor RL45 (Type II)

Released:
DOI: 10.2210/pdb3f3w/pdb
PDB entry 3f3w coloured by chain, front view.
PDB entry 3f3w coloured by chain, side view.
PDB entry 3f3w coloured by chain, top view.
Source organism: Gallus gallus
Primary publication:
Hybrid compound design to overcome the gatekeeper T338M mutation in cSrc.
Getlik M, Grütter C, Simard JR, Klüter S, Rabiller M, Rode HB, Robubi A, Rauh D
J Med Chem 52 3915-26 (2009)
PMID: 19462975

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: 32.77 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 1BU 2 x 1BU
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P1
Unit cell:
a: 42.06Å b: 63.69Å c: 75.12Å
α: 78.7° β: 87.02° γ: 89.96°
R-values:
R R work R free
0.223 0.221 0.277
Expression system: Escherichia coli

Quick links

Citations

5 review citations

Src protein-tyrosine kinase structure, mechanism, and small molecule inhibitors.
Roskoski R. (2015)
4 more

1 mention without citation

Three-Dimensional Interactions Analysis of the Anticancer Target c-Src Kinase with Its Inhibitors.
Jha et al. (2020)