› 4zog

X-ray diffraction
2.3Å resolution

VX-680/MK-0457 binds to human ABL1 also in inactive DFG conformations.

Released:
DOI: 10.2210/pdb4zog/pdb
PDB entry 4zog coloured by chain, front view.
PDB entry 4zog coloured by chain, side view.
PDB entry 4zog coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Kyomuhendo P, Narayanan D, Engh RA

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: 283 amino acids
Theoretical weight: 32.77 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P00519 (Residues: 229-511; Coverage: 25%)
Gene names: ABL, ABL1, JTK7
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand VX6 2 x VX6
Ligand MXE 3 x MXE
Ligand MES 1 x MES
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.1
Spacegroup: P21212
Unit cell:
a: 105.937Å b: 132.425Å c: 56.551Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.187 0.184 0.233
Expression system: Escherichia coli BL21(DE3)

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