› 5g1c

X-ray diffraction
1.81Å resolution

Structure of HDAC like protein from Bordetella Alcaligenes bound the photoswitchable pyrazole Inhibitor CEW395

Released:
DOI: 10.2210/pdb5g1c/pdb
PDB entry 5g1c coloured by chain, front view.
PDB entry 5g1c coloured by chain, side view.
PDB entry 5g1c coloured by chain, top view.
Source organism: Alcaligenes
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
Molecule details ›
Chains: A, B
Length: 370 amino acids
Theoretical weight: 39.57 KDa
Source organism: Alcaligenes
Expression system: Escherichia coli
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 2 x ZN
Ligand K 4 x K
Ligand 9RB 2 x 9RB
Ligand 1PE 2 x 1PE
Ligand PEG 7 x PEG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P42212
Unit cell:
a: 101.099Å b: 101.099Å c: 175.057Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.173 0.171 0.219
Expression system: Escherichia coli

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Citations

9 review citations

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