› 5ncd

X-ray diffraction
2.45Å resolution

Crystal structure of the polysaccharide deacetylase Bc1974 from Bacillus cereus in complex with (2S)-2-amino-5-(diaminomethylideneamino)-N-hydroxypentanamide

Released:
DOI: 10.2210/pdb5ncd/pdb
PDB entry 5ncd coloured by chain, front view.
PDB entry 5ncd coloured by chain, side view.
PDB entry 5ncd coloured by chain, top view.
Source organism: Bacillus cereus
Primary publication:
Structures of the Peptidoglycan N-Acetylglucosamine Deacetylase Bc1974 and Its Complexes with Zinc Metalloenzyme Inhibitors.
Giastas P, Andreou A, Papakyriakou A, Koutsioulis D, Balomenou S, Tzartos SJ, Bouriotis V, Eliopoulos EE
Biochemistry 57 753-763 (2018)
PMID: 29257674

Function and Biology Details

Reaction catalysed: 
Peptidoglycan-N-acetyl-D-glucosamine + H(2)O = peptidoglycan-D-glucosamine + acetate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-182503 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Peptidoglycan-N-acetylglucosamine deacetylase BC_1974 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 247 amino acids
Theoretical weight: 27.88 KDa
Source organism: Bacillus cereus
Expression system: Escherichia coli
UniProt:
  • Canonical: Q81EJ6 (Residues: 27-273; Coverage: 91%)
Gene name: BC_1974
Sequence domains: Polysaccharide deacetylase

Ligands and Environments

4 bound ligands:
Ligand ACT 3 x ACT
Ligand ZN 4 x ZN
Ligand AHL 1 x AHL
Ligand CIT 1 x CIT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06DA
Spacegroup: P21
Unit cell:
a: 50.647Å b: 117.438Å c: 99.488Å
α: 90° β: 102.92° γ: 90°
R-values:
R R work R free
0.229 0.226 0.292
Expression system: Escherichia coli

Quick links

Citations

10 citation in other articles

An overall look at insect chitin deacetylases: Promising molecular targets for developing green pesticides.
Li et al. (2021)
9 more