› 5kky

X-ray diffraction
2.39Å resolution

Structure of Streptococcus pneumonia NanA bound with inhibitor 9N3Neu5Ac2en

Released:
DOI: 10.2210/pdb5kky/pdb
PDB entry 5kky coloured by chain, front view.
PDB entry 5kky coloured by chain, side view.
PDB entry 5kky coloured by chain, top view.
Source organism: Streptococcus pneumoniae
Entry authors: Shi D, Zhao G

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:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-158648 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Sialidase A Chains: A, B
Molecule details ›
Chains: A, B
Length: 496 amino acids
Theoretical weight: 55.63 KDa
Source organism: Streptococcus pneumoniae
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P62575 (Residues: 318-792; Coverage: 48%)
Gene name: nanA
Sequence domains: BNR repeat-like domain
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand 6UD 2 x 6UD
Ligand CL 2 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-D
Spacegroup: P21
Unit cell:
a: 75.325Å b: 77.054Å c: 85.81Å
α: 90° β: 98.52° γ: 90°
R-values:
R R work R free
0.157 0.154 0.207
Expression system: Escherichia coli BL21(DE3)

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