› 8d9a

X-ray diffraction
1.75Å resolution

Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with fluorinated inhibitor 8

Released:
DOI: 10.2210/pdb8d9a/pdb
PDB entry 8d9a coloured by chain, front view.
PDB entry 8d9a coloured by chain, side view.
PDB entry 8d9a coloured by chain, top view.
Source organism: Danio rerio
Primary publication:
Aromatic Ring Fluorination Patterns Modulate Inhibitory Potency of Fluorophenylhydroxamates Complexed with Histone Deacetylase 6.
Watson PR, Bai P, Wang C, Cragin AD, Hooker JM, Christianson DW
Biochemistry 61 1945-1954 (2022)
PMID: 36073962

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-123745 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
UBP-type domain-containing protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 364 amino acids
Theoretical weight: 40.29 KDa
Source organism: Danio rerio
Expression system: Escherichia coli
UniProt:
  • Canonical: F8W4B7 (Residues: 440-798; Coverage: 33%)
Gene name: hdac6
Sequence domains: Histone deacetylase domain

Ligands and Environments

3 bound ligands:
Ligand QHO 2 x QHO
Ligand ZN 2 x ZN
Ligand K 4 x K
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 24-ID-E
Spacegroup: P212121
Unit cell:
a: 75.035Å b: 92.044Å c: 96.2Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.184 0.183 0.217
Expression system: Escherichia coli

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Citations

1 mention without citation

Aromatic Ring Fluorination Patterns Modulate Inhibitory Potency of Fluorophenylhydroxamates Complexed with Histone Deacetylase 6.
Watson et al. (2022)