› 4id7

X-ray diffraction
3Å resolution

ACK1 kinase in complex with the inhibitor cis-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutanol

Released:
DOI: 10.2210/pdb4id7/pdb
PDB entry 4id7 coloured by chain, front view.
PDB entry 4id7 coloured by chain, side view.
PDB entry 4id7 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of potent, selective and orally bioavailable imidazo[1,5-a]pyrazine derived ACK1 inhibitors.
Jin M, Wang J, Kleinberg A, Kadalbajoo M, Siu KW, Cooke A, Bittner MA, Yao Y, Thelemann A, Ji Q, Bhagwat S, Mulvihill KM, Rechka JA, Pachter JA, Crew AP, Epstein D, Mulvihill MJ
Bioorg Med Chem Lett 23 979-84 (2013)
PMID: 23317569

Function and Biology Details

Reactions catalysed: 
ATP + a [protein]-L-tyrosine = ADP + a [protein]-L-tyrosine phosphate
ATP + a protein = ADP + a phosphoprotein
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-170564 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Activated CDC42 kinase 1 Chain: A
Molecule details ›
Chain: A
Length: 273 amino acids
Theoretical weight: 31.23 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: Q07912 (Residues: 117-389; Coverage: 26%)
Gene names: ACK1, TNK2
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand 1G0 1 x 1G0
Ligand SO4 1 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06DA
Spacegroup: I422
Unit cell:
a: 94.659Å b: 94.659Å c: 187.267Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.213 0.21 0.259
Expression system: Not provided

Quick links

Citations

1 review citation

ACK1 tyrosine kinase: targeted inhibition to block cancer cell proliferation.
Mahajan et al. (2013)
4 other articles

2 mentions without citation

Domain Architecture of the Nonreceptor Tyrosine Kinase Ack1.
Kan et al. (2023)
1 more