› 5zj6

X-ray diffraction
1.7Å resolution

Crystal structure of HCK kinase complexed with a pyrrolo-pyrimidine inhibitor 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Released:
DOI: 10.2210/pdb5zj6/pdb
PDB entry 5zj6 coloured by chain, front view.
PDB entry 5zj6 coloured by chain, side view.
PDB entry 5zj6 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Phosphorylated and non-phosphorylated HCK kinase domains produced by cell-free protein expression.
Katsura K, Tomabechi Y, Matsuda T, Yonemochi M, Mikuni J, Ohsawa N, Terada T, Yokoyama S, Kukimoto-Niino M, Takemoto C, Shirouzu M
Protein Expr Purif 150 92-99 (2018)
PMID: 29793032

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:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-140251 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Tyrosine-protein kinase HCK Chains: A, B
Molecule details ›
Chains: A, B
Length: 287 amino acids
Theoretical weight: 32.6 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P08631 (Residues: 242-521; Coverage: 53%)
Gene name: HCK
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: SPRING-8 BEAMLINE BL26B2
Spacegroup: P1
Unit cell:
a: 42.81Å b: 48.02Å c: 78.01Å
α: 87.59° β: 83.09° γ: 63.59°
R-values:
R R work R free
0.208 0.207 0.24
Expression system: Spodoptera frugiperda

Quick links

Citations

1 review citation

Advancing synthetic biology through cell-free protein synthesis.
Yue et al. (2023)
2 other articles

1 mention without citation

The HCK/BTK inhibitor KIN-8194 is active in MYD88-driven lymphomas and overcomes mutated BTKCys481 ibrutinib resistance.
Yang et al. (2021)