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PDBsum entry 1epw
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Contents |
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* Residue conservation analysis
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References listed in PDB file
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Key reference
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Title
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Structural analysis of the catalytic and binding sites of clostridium botulinum neurotoxin b.
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Authors
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S.Swaminathan,
S.Eswaramoorthy.
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Ref.
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Nat Struct Biol, 2000,
7,
693-699.
[DOI no: ]
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PubMed id
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Abstract
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Clostridium botulinum neurotoxins are among the most potent toxins to humans.
The crystal structures of intact C. botulinum neurotoxin type B (BoNT/B) and its
complex with sialyllactose, determined at 1. 8 and 2.6 A resolution,
respectively, provide insight into its catalytic and binding sites. The position
of the belt region in BoNT/B is different from that in BoNT/A; this observation
presents interesting possibilities for designing specific inhibitors that could
be used to block the activity of this neurotoxin. The structures of BoNT/B and
its complex with sialyllactose provide a detailed description of the active site
and a model for interactions between the toxin and its cell surface receptor.
The latter may provide valuable information for recombinant vaccine development.
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Figure 3.
Figure 3. The active and binding sites of BoNT/B. a, Stereo
view of the active site environment. Zinc and bonds to its
coordinating residues are shown in orange. Residues in the first
shell around the zinc (the immediate surroundings) are shown as
ball and stick models, while residues in the second shell and
water molecules are shown as ball and stick models with their
van der Waals surfaces as dotted surfaces. Hydrogen bonds are
shown as thin blue lines. b, Stereo view of sialyllactose and
the residues interacting with it. Residues from a symmetry
related molecule are shown in blue. Potential hydrogen bond
contacts are shown as dashed lines.
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Figure 6.
Figure 6. Sigma weighted 2F[o] - F[c] maps. a, A
representative section of the 2F[o] - F[c] map of intact BoNT/B
structure contoured at 1.2  .
All reflections up to 1.8 Å resolution were included in the map
calculations. b, 2F[o] - F[c] map showing density around
sialyllactose contoured at 1.0 in
the crystal structure of BoNT/B in complex with sialyllactose.
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The above figures are
reprinted
by permission from Macmillan Publishers Ltd:
Nat Struct Biol
(2000,
7,
693-699)
copyright 2000.
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