1i1e
From Proteopedia
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|PDB= 1i1e |SIZE=350|CAPTION= <scene name='initialview01'>1i1e</scene>, resolution 2.5Å | |PDB= 1i1e |SIZE=350|CAPTION= <scene name='initialview01'>1i1e</scene>, resolution 2.5Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= <scene name='pdbligand=DM2:DOXORUBICIN'>DM2</scene>, <scene name='pdbligand= | + | |LIGAND= <scene name='pdbligand=DM2:DOXORUBICIN'>DM2</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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]], [[1g9a|1g9a]] | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1i1e FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1i1e OCA], [http://www.ebi.ac.uk/pdbsum/1i1e PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1i1e RCSB]</span> | ||
}} | }} | ||
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[[Category: Kumaran, D.]] | [[Category: Kumaran, D.]] | ||
[[Category: Swaminathan, S.]] | [[Category: Swaminathan, S.]] | ||
| - | [[Category: DM2]] | ||
| - | [[Category: SO4]] | ||
| - | [[Category: ZN]] | ||
[[Category: botulinum]] | [[Category: botulinum]] | ||
[[Category: complex]] | [[Category: complex]] | ||
| Line 35: | Line 35: | ||
[[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 21:13:13 2008'' |
Revision as of 18:13, 30 March 2008
| |||||||
| , resolution 2.5Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | , , | ||||||
| Activity: | Bontoxilysin, with EC number 3.4.24.69 | ||||||
| Related: | 1epw, 1f31, 1g9a
| ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
CRYSTAL STRUCTURE OF CLOSTRIDIUM BOTULINUM NEUROTOXIN B COMPLEXED WITH DOXORUBICIN
Overview
The neurotoxins of Clostridium botulinum and tetanus bind to gangliosides as a first step of their toxin activity. Identifying suitable receptors that compete with gangliosides could prevent toxin binding to the neuronal cells. A possible ganglioside-binding site of the botulinum neurotoxin B (BoNT/B) has already been proposed and evidence is now presented for a drug binding to botulinum neurotoxin B from structural studies. Doxorubicin, a well known DNA intercalator, binds to the neurotoxin at the receptor-binding site proposed earlier. The structure of the BoNT/B-doxorubicin complex reveals that doxorubicin has interactions with the neurotoxin similar to those of sialyllactose. The aglycone moiety of the doxorubicin stacks with tryptophan 1261 and interacts with histidine 1240 of the binding domain. Here, the possibility is presented of designing a potential antagonist for these neurotoxins from crystallographic analysis of the neurotoxin-doxorubicin complex, which will be an excellent lead compound.
About this Structure
1I1E is a Single protein structure of sequence from Clostridium botulinum. Full crystallographic information is available from OCA.
Reference
Crystallographic evidence for doxorubicin binding to the receptor-binding site in Clostridium botulinum neurotoxin B., Eswaramoorthy S, Kumaran D, Swaminathan S, Acta Crystallogr D Biol Crystallogr. 2001 Nov;57(Pt 11):1743-6. Epub 2001, Oct 25. PMID:11679763
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