› 5o6y

X-ray diffraction
2.5Å resolution

Crystal structure of the Bc1960 peptidoglycan N-acetylglucosamine deacetylase in complex with 4-naphthalen-1-yl-~{N}-oxidanyl-benzamide

Released:
DOI: 10.2210/pdb5o6y/pdb
PDB entry 5o6y coloured by chain, front view.
PDB entry 5o6y coloured by chain, side view.
PDB entry 5o6y coloured by chain, top view.
Source organism: Bacillus cereus ATCC 14579
Entry authors: Fadouloglou VE, Kotsifaki D, Kokkinidis M

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-182504 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Peptidoglycan-N-acetylglucosamine deacetylase BC_1960 Chain: A
Molecule details ›
Chain: A
Length: 214 amino acids
Theoretical weight: 24.24 KDa
Source organism: Bacillus cereus ATCC 14579
Expression system: Escherichia coli K-12
UniProt:
  • Canonical: Q81EK9 (Residues: 61-274; Coverage: 78%)
Gene name: BC_1960
Sequence domains: Polysaccharide deacetylase
Peptidoglycan-N-acetylglucosamine deacetylase BC_1960 Chains: B, C, D
Molecule details ›
Chains: B, C, D
Length: 214 amino acids
Theoretical weight: 24.25 KDa
Source organism: Bacillus cereus ATCC 14579
Expression system: Escherichia coli K-12
UniProt:
  • Canonical: Q81EK9 (Residues: 61-274; Coverage: 78%)
Gene name: BC_1960
Sequence domains: Polysaccharide deacetylase

Ligands and Environments

9 bound ligands:
Ligand SO4 9 x SO4
Ligand 5YA 4 x 5YA
Ligand PE3 2 x PE3
Ligand PEG 11 x PEG
Ligand PG0 1 x PG0
Ligand NA 21 x NA
Ligand CL 4 x CL
Ligand ZN 4 x ZN
Ligand DMS 2 x DMS
1 modified residue:
Ligand PXU 3 x PXU

Experiments and Validation Details

Entry percentile scores
X-ray source: ELETTRA BEAMLINE 5.2R
Spacegroup: P41212
Unit cell:
a: 93.042Å b: 93.042Å c: 243.868Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.199 0.196 0.254
Expression system: Escherichia coli K-12

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