› 5n1p

X-ray diffraction
1.45Å resolution

Crystal structure of the polysaccharide deacetylase Bc1974 from Bacillus cereus in complex with N-hydroxynaphthalene-1-carboxamide

Released:
DOI: 10.2210/pdb5n1p/pdb
PDB entry 5n1p coloured by chain, front view.
PDB entry 5n1p coloured by chain, side view.
PDB entry 5n1p 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:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-182501 (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: 206 amino acids
Theoretical weight: 23.41 KDa
Source organism: Bacillus cereus
Expression system: Escherichia coli
UniProt:
  • Canonical: Q81EJ6 (Residues: 68-273; Coverage: 76%)
Gene name: BC_1974
Sequence domains: Polysaccharide deacetylase

Ligands and Environments

5 bound ligands:
Ligand 8GK 4 x 8GK
Ligand ZN 4 x ZN
Ligand EDO 1 x EDO
Ligand NA 2 x NA
Ligand PGE 1 x PGE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06DA
Spacegroup: C2
Unit cell:
a: 196.103Å b: 44.347Å c: 99.132Å
α: 90° β: 98.83° γ: 90°
R-values:
R R work R free
0.162 0.161 0.18
Expression system: Escherichia coli

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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