› 5g3w

X-ray diffraction
1.6Å resolution

Structure of HDAC like protein from Bordetella Alcaligenes in complex with the photoswitchable inhibitor CEW65

Released:
DOI: 10.2210/pdb5g3w/pdb
PDB entry 5g3w coloured by chain, front view.
PDB entry 5g3w coloured by chain, side view.
PDB entry 5g3w coloured by chain, top view.
Source organism: Bordetella
Primary publication:
Toward Photopharmacological Antimicrobial Chemotherapy Using Photoswitchable Amidohydrolase Inhibitors.
Weston CE, Krämer A, Colin F, Yildiz Ö, Baud MG, Meyer-Almes FJ, Fuchter MJ
ACS Infect Dis 3 152-161 (2017)
PMID: 27756124

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-180686 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Histone deacetylase-like amidohydrolase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 374 amino acids
Theoretical weight: 40.12 KDa
Source organism: Bordetella
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q70I53 (Residues: 2-369; Coverage: 100%)
Gene names: hdaH, hdaH1
Sequence domains: Histone deacetylase domain
Structure domains: Histone deacetylase domain

Ligands and Environments

5 bound ligands:
Ligand ZN 4 x ZN
Ligand K 8 x K
Ligand PEG 11 x PEG
Ligand C65 4 x C65
Ligand 1PE 2 x 1PE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: I222
Unit cell:
a: 92.27Å b: 130.14Å c: 251.13Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.127 0.125 0.167
Expression system: Escherichia coli BL21(DE3)

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Citations

9 review citations

Optochemical Control of Biological Processes in Cells and Animals.
Ankenbruck et al. (2018)
8 more