› 4xjw

X-ray diffraction
1.53Å resolution

Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with Optactin at pH 7.4 in PBS with DMSO as the cryoprotectant

Released:
DOI: 10.2210/pdb4xjw/pdb
PDB entry 4xjw coloured by chain, front view.
PDB entry 4xjw coloured by chain, side view.
PDB entry 4xjw coloured by chain, top view.
Source organism: Streptococcus pneumoniae TIGR4
Entry author: Brear P

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:
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: 658 amino acids
Theoretical weight: 73.52 KDa
Source organism: Streptococcus pneumoniae TIGR4
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q54727 (Residues: 39-696; Coverage: 99%)
Gene names: SP_1687, nanB
Sequence domains:
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand OPX 1 x OPX
Ligand DMS 4 x DMS
Ligand PO4 1 x PO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P212121
Unit cell:
a: 75.95Å b: 82.85Å c: 116.58Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.191 0.19 0.211
Expression system: Escherichia coli BL21(DE3)

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