› 4twp

X-ray diffraction
2.4Å resolution

The crystal structure of human abl1 T315I gatekeeper mutant kinase domain in complex with axitinib

Released:
DOI: 10.2210/pdb4twp/pdb
PDB entry 4twp coloured by chain, front view.
PDB entry 4twp coloured by chain, side view.
PDB entry 4twp coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Axitinib effectively inhibits BCR-ABL1(T315I) with a distinct binding conformation.
Pemovska T, Johnson E, Kontro M, Repasky GA, Chen J, Wells P, Cronin CN, McTigue M, Kallioniemi O, Porkka K, Murray BW, Wennerberg K
Nature 519 102-5 (2015)
PMID: 25686603

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: 271 amino acids
Theoretical weight: 31.42 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P00519 (Residues: 233-503; Coverage: 24%)
Gene names: ABL, ABL1, JTK7
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand AXI 2 x AXI
Ligand NI 4 x NI
Ligand NA 3 x NA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Unit cell:
a: 56.818Å b: 113.801Å c: 131.164Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.213 0.212 0.241
Expression system: Spodoptera frugiperda

Quick links

Citations

27 review citations

Precision medicine for cancer with next-generation functional diagnostics.
Friedman et al. (2015)
26 more

13 mentions without citation

Conformational states dynamically populated by a kinase determine its function.
Xie et al. (2020)
12 more