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Crystal Structure of the Human Sialidase Neu2 in Complex with 3- hydroxypropyl ether mimetic Inhibitor

X-ray diffraction
2.27Å resolution
PDB entry 2f12 coloured by chain, front view.
PDB entry 2f12 coloured by chain, side view.
PDB entry 2f12 coloured by chain, top view.
Source organism: Homo sapiens
Assembly composition:
monomeric (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Sialidase-2
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Multimeric state: monomeric
Accessible surface area: 14432.0 Å2
Buried surface area: 862.93 Å2
Dissociation area: 341.32 Å2
Dissociation energy (ΔGdiss): -2.3 kcal/mol
Dissociation entropy (TΔSdiss): 3.96 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-195217

Macromolecules

Sialidase-2
Chain: A
Length: 382 amino acids
Theoretical weight: 42.42 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: Q9Y3R4 (Residues: 1-380; Coverage: 100%)
Gene name: NEU2
Pfam: BNR repeat-like domain
InterPro:
CATH: Neuraminidase
SCOP: Sialidases (neuraminidases)
Sialidase-2 in PDB entry 2f12, assembly 1, front view.
Sialidase-2 in PDB entry 2f12, assembly 1, side view.
Sialidase-2 in PDB entry 2f12, assembly 1, top view.
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