› 4ewh

X-ray diffraction
2.5Å resolution

Co-crystal structure of ACK1 with inhibitor

Released:
DOI: 10.2210/pdb4ewh/pdb
PDB entry 4ewh coloured by chain, front view.
PDB entry 4ewh coloured by chain, side view.
PDB entry 4ewh coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Synthesis and optimization of substituted furo[2,3-d]-pyrimidin-4-amines and 7H-pyrrolo[2,3-d]pyrimidin-4-amines as ACK1 inhibitors.
Jiao X, Kopecky DJ, Liu J, Liu J, Jaen JC, Cardozo MG, Sharma R, Walker N, Wesche H, Li S, Farrelly E, Xiao SH, Wang Z, Kayser F
Bioorg Med Chem Lett 22 6212-7 (2012)
PMID: 22929232

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 Chains: A, B
Molecule details ›
Chains: A, B
Length: 275 amino acids
Theoretical weight: 31.5 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: Q07912 (Residues: 117-391; Coverage: 27%)
Gene names: ACK1, TNK2
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand T77 2 x T77
1 modified residue:
Ligand PTR 2 x PTR

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.2
Spacegroup: C2
Unit cell:
a: 201.202Å b: 42.48Å c: 71.031Å
α: 90° β: 95.29° γ: 90°
R-values:
R R work R free
0.259 0.256 0.313
Expression system: Not provided

Quick links

Citations

2 review citations

ACK1 tyrosine kinase: targeted inhibition to block cancer cell proliferation.
Mahajan et al. (2013)
1 more

9 mentions without citation

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