› 4c3f

X-ray diffraction
1.72Å resolution

Structure of Lck in complex with a compound discovered by Virtual Fragment Linking

Released:
DOI: 10.2210/pdb4c3f/pdb
PDB entry 4c3f coloured by chain, front view.
PDB entry 4c3f coloured by chain, side view.
PDB entry 4c3f coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Efficient search of chemical space: navigating from fragments to structurally diverse chemotypes.
Wassermann AM, Kutchukian PS, Lounkine E, Luethi T, Hamon J, Bocker MT, Malik HA, Cowan-Jacob SW, Glick M
J Med Chem 56 8879-91 (2013)
PMID: 24117015

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-138948 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Tyrosine-protein kinase Lck Chain: A
Molecule details ›
Chain: A
Length: 267 amino acids
Theoretical weight: 30.66 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P06239 (Residues: 237-501; Coverage: 52%)
Gene name: LCK
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 7KW 1 x 7KW
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-E
Spacegroup: P212121
Unit cell:
a: 58.088Å b: 44.596Å c: 120.254Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.18 0.177 0.22
Expression system: Spodoptera frugiperda

Quick links

Citations

3 review citations

Increasing the delivery of next generation therapeutics from high throughput screening libraries.
Wigglesworth et al. (2015)
2 more