1g9c
From Proteopedia
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|PDB= 1g9c |SIZE=350|CAPTION= <scene name='initialview01'>1g9c</scene>, resolution 2.35Å | |PDB= 1g9c |SIZE=350|CAPTION= <scene name='initialview01'>1g9c</scene>, resolution 2.35Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= <scene name='pdbligand= | + | |LIGAND= <scene name='pdbligand=BAB:BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE'>BAB</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene> |
| - | |ACTIVITY= [http://en.wikipedia.org/wiki/Bontoxilysin Bontoxilysin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.24.69 3.4.24.69] | + | |ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Bontoxilysin Bontoxilysin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.24.69 3.4.24.69] </span> |
|GENE= | |GENE= | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY=[[1epw|1EPW]], [[1f31|1F31]] | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1g9c FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1g9c OCA], [http://www.ebi.ac.uk/pdbsum/1g9c PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1g9c RCSB]</span> | ||
}} | }} | ||
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[[Category: Eswaramoorthy, S.]] | [[Category: Eswaramoorthy, S.]] | ||
[[Category: Swaminathan, S.]] | [[Category: Swaminathan, S.]] | ||
| - | [[Category: BAB]] | ||
| - | [[Category: ZN]] | ||
[[Category: botulinum]] | [[Category: botulinum]] | ||
[[Category: complex]] | [[Category: complex]] | ||
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[[Category: neurotoxin]] | [[Category: neurotoxin]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 20:39:22 2008'' |
Revision as of 17:39, 30 March 2008
| |||||||
| , resolution 2.35Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | , | ||||||
| Activity: | Bontoxilysin, with EC number 3.4.24.69 | ||||||
| Related: | 1EPW, 1F31
| ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
CRYSTAL STRUCTURE OF CLOSTRIDIUM BOTULINUM NEUROTOXIN B COMPLEXED WITH AN INHIBITOR (EXPERIMENT 4)
Overview
Clostridium botulinum neurotoxins are zinc endopeptidase proteins responsible for cleaving specific peptide bonds of proteins of neuroexocytosis apparatus. The ability of drugs to interfere with toxin's catalytic activity is being evaluated with zinc chelators and metalloprotease inhibitors. It is important to develop effective pharmacological treatment for the intact holotoxin before the catalytic domain separates and enters the cytosol. We present here evidence for a novel mechanism of an inhibitor binding to the holotoxin and for the chelation of zinc from our structural studies on Clostridium botulinum neurotoxin type B in complex with a potential metalloprotease inhibitor, bis(5-amidino-2-benzimidazolyl)methane, and provide snapshots of the reaction as it progresses. The binding and inhibition mechanism of this inhibitor to the neurotoxin seems to be unique for intact botulinum neurotoxins. The environment of the active site rearranges in the presence of the inhibitor, and the zinc ion is gradually removed from the active site and transported to a different site in the protein, probably causing loss of catalytic activity.
About this Structure
1G9C is a Single protein structure of sequence from Clostridium botulinum. Full crystallographic information is available from OCA.
Reference
A novel mechanism for Clostridium botulinum neurotoxin inhibition., Eswaramoorthy S, Kumaran D, Swaminathan S, Biochemistry. 2002 Aug 6;41(31):9795-802. PMID:12146945
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