› 8h7h

X-ray diffraction
2.28Å resolution

The crystal structure of human abl1 kinase domain in complex with abl1-A-EBA

Released:
DOI: 10.2210/pdb8h7h/pdb
PDB entry 8h7h coloured by chain, front view.
PDB entry 8h7h coloured by chain, side view.
PDB entry 8h7h coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
2-Ethynylbenzaldehyde-Based, Lysine-Targeting Irreversible Covalent Inhibitors for Protein Kinases and Nonkinases.
Chen P, Tang G, Zhu C, Sun J, Wang X, Xiang M, Huang H, Wang W, Li L, Zhang ZM, Gao L, Yao SQ
J Am Chem Soc (2023)
PMID: 36774655

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-132602 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Tyrosine-protein kinase ABL1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 277 amino acids
Theoretical weight: 32.06 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P00519 (Residues: 229-500; Coverage: 24%)
Gene names: ABL, ABL1, JTK7
Sequence domains: Protein tyrosine and serine/threonine kinase

Ligands and Environments

1 bound ligand:
Ligand QH9 2 x QH9
1 modified residue:
Ligand PTR 2 x PTR

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL19U1
Unit cell:
a: 56.766Å b: 104.777Å c: 133.014Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.185 0.182 0.221
Expression system: Escherichia coli

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