› 4ybk

X-ray diffraction
2.5Å resolution

C-Helix-Out Dasatinib Analog Crystallized with c-Src Kinase

Released:
DOI: 10.2210/pdb4ybk/pdb
PDB entry 4ybk coloured by chain, front view.
PDB entry 4ybk coloured by chain, side view.
PDB entry 4ybk coloured by chain, top view.
Source organism: Gallus gallus
Primary publication:
Conformation-Selective Analogues of Dasatinib Reveal Insight into Kinase Inhibitor Binding and Selectivity.
Kwarcinski FE, Brandvold KR, Phadke S, Beleh OM, Johnson TK, Meagher JL, Seeliger MA, Stuckey JA, Soellner MB
ACS Chem Biol 11 1296-304 (2016)
PMID: 26895387

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 Chain: A
Molecule details ›
Chain: A
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 4B7 1 x 4B7
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-F
Spacegroup: P212121
Unit cell:
a: 41.334Å b: 62.213Å c: 102.803Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.208 0.206 0.252
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

5 review citations

Photoaffinity labelling strategies for mapping the small molecule-protein interactome.
Burton et al. (2021)
4 more

7 mentions without citation

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