› 4lue

X-ray diffraction
3.04Å resolution

Crystal Structure of HCK in complex with 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (resulting from displacement of SKF86002)

Released:
DOI: 10.2210/pdb4lue/pdb
PDB entry 4lue coloured by chain, front view.
PDB entry 4lue coloured by chain, side view.
PDB entry 4lue coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Kinase crystal identification and ATP-competitive inhibitor screening using the fluorescent ligand SKF86002.
Parker LJ, Taruya S, Tsuganezawa K, Ogawa N, Mikuni J, Honda K, Tomabechi Y, Handa N, Shirouzu M, Yokoyama S, Tanaka A
Acta Crystallogr D Biol Crystallogr 70 392-404 (2014)
PMID: 24531473

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-140247 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Tyrosine-protein kinase HCK Chains: A, B
Molecule details ›
Chains: A, B
Length: 454 amino acids
Theoretical weight: 52 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P08631 (Residues: 81-526; Coverage: 85%)
Gene name: HCK
Sequence domains:
Structure domains:

Ligands and Environments

5 bound ligands:
Ligand CA 2 x CA
Ligand VSE 2 x VSE
Ligand CL 2 x CL
Ligand GOL 4 x GOL
Ligand IMD 1 x IMD
1 modified residue:
Ligand PTR 2 x PTR

Experiments and Validation Details

Entry percentile scores
X-ray source: SPRING-8 BEAMLINE BL26B2
Spacegroup: P212121
Unit cell:
a: 73.4Å b: 93.53Å c: 181.49Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.208 0.205 0.256
Expression system: Spodoptera frugiperda

Quick links

Citations

2 citation in other articles

Identified Isosteric Replacements of Ligands' Glycosyl Domain by Data Mining.
Zhang et al. (2023)
1 more

3 mentions without citation

Expression of myeloid Src-family kinases is associated with poor prognosis in AML and influences Flt3-ITD kinase inhibitor acquired resistance.
Patel et al. (2019)
2 more