› 3svv

X-ray diffraction
2.2Å resolution

Crystal Structure of T338C c-Src covalently bound to vinylsulfonamide-pyrazolopyrimidine 9

Released:
DOI: 10.2210/pdb3svv/pdb
PDB entry 3svv coloured by chain, front view.
PDB entry 3svv coloured by chain, side view.
PDB entry 3svv coloured by chain, top view.
Source organism: Gallus gallus
Primary publication:
Chemical genetic strategy for targeting protein kinases based on covalent complementarity.
Garske AL, Peters U, Cortesi AT, Perez JL, Shokat KM
Proc Natl Acad Sci U S A 108 15046-52 (2011)
PMID: 21852571

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 BL21(DE3)
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 VSP 2 x VSP
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.2.2
Spacegroup: P1
Unit cell:
a: 42.3Å b: 63.315Å c: 74.23Å
α: 78.93° β: 87.7° γ: 87.92°
R-values:
R R work R free
0.178 0.176 0.215
Expression system: Escherichia coli BL21(DE3)

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Citations

7 review citations

Drug discovery considerations in the development of covalent inhibitors.
Mah et al. (2014)
6 more

3 mentions without citation

Chemical genetic strategy for targeting protein kinases based on covalent complementarity.
Garske et al. (2011)
2 more