› 4fpk

X-ray diffraction
2.4Å resolution

Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 2-[(3-methylbenzyl)ammonio]ethanesulfonate

Released:
DOI: 10.2210/pdb4fpk/pdb
PDB entry 4fpk coloured by chain, front view.
PDB entry 4fpk coloured by chain, side view.
PDB entry 4fpk coloured by chain, top view.
Source organism: Streptococcus pneumoniae
Primary publication:
Synthesis and structural characterisation of selective non-carbohydrate-based inhibitors of bacterial sialidases.
Brear P, Telford J, Taylor GL, Westwood NJ
Chembiochem 13 2374-83 (2012)
PMID: 23070966

Function and Biology Details

Reaction catalysed: 
Hydrolysis of alpha-(2->3)-, alpha-(2->6)-, alpha-(2->8)- glycosidic linkages of terminal sialic acid residues in oligosaccharides, glycoproteins, glycolipids, colominic acid and synthetic substrates.
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-176218 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Sialidase B Chain: A
Molecule details ›
Chain: A
Length: 697 amino acids
Theoretical weight: 77.78 KDa
Source organism: Streptococcus pneumoniae
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q54727 (Residues: 1-697; Coverage: 100%)
Gene names: SP_1687, nanB
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand IJ1 1 x IJ1
Ligand DMS 1 x DMS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P212121
Unit cell:
a: 76.231Å b: 82.551Å c: 116.299Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.18 0.176 0.251
Expression system: Escherichia coli BL21(DE3)

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Citations

1 review citation

Exploitation of physiology and metabolomics to identify pneumococcal vaccine candidates.
Schulz et al. (2013)
7 other articles