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==DETERMINATION OF THE THREE-DIMENSIONAL STRUCTURE OF MARGATOXIN BY 1H, 13C, 15N TRIPLE-RESONANCE NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY==
==DETERMINATION OF THE THREE-DIMENSIONAL STRUCTURE OF MARGATOXIN BY 1H, 13C, 15N TRIPLE-RESONANCE NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY==
<StructureSection load='1mtx' size='340' side='right'caption='[[1mtx]], [[NMR_Ensembles_of_Models | 23 NMR models]]' scene=''>
<StructureSection load='1mtx' size='340' side='right'caption='[[1mtx]]' scene=''>
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[1mtx]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Centruroides_margaritatus Centruroides margaritatus]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1MTX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1MTX FirstGlance]. <br>
<table><tr><td colspan='2'>[[1mtx]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Centruroides_margaritatus Centruroides margaritatus]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1MTX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1MTX FirstGlance]. <br>
</td></tr><tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1mtx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1mtx OCA], [https://pdbe.org/1mtx PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1mtx RCSB], [https://www.ebi.ac.uk/pdbsum/1mtx PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1mtx ProSAT]</span></td></tr>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">Solution NMR</td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1mtx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1mtx OCA], [https://pdbe.org/1mtx PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1mtx RCSB], [https://www.ebi.ac.uk/pdbsum/1mtx PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1mtx ProSAT]</span></td></tr>
</table>
</table>
== Function ==
== Function ==
[[https://www.uniprot.org/uniprot/KAX22_CENMA KAX22_CENMA]] Potent selective inhibitor of voltage-dependent potassium channels such as Kv1.3/KCNA3.<ref>PMID:8360176</ref>
[https://www.uniprot.org/uniprot/KAX22_CENMA KAX22_CENMA] Potent selective inhibitor of voltage-dependent potassium channels such as Kv1.3/KCNA3.<ref>PMID:8360176</ref>  
== Evolutionary Conservation ==
== Evolutionary Conservation ==
[[Image:Consurf_key_small.gif|200px|right]]
[[Image:Consurf_key_small.gif|200px|right]]
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</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=1mtx ConSurf].
</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=1mtx ConSurf].
<div style="clear:both"></div>
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
The solution structure of the 39-residue peptide margatoxin, a scorpion toxin that selectively blocks the voltage-gated potassium-channel Kv1.3, has been determined by NMR spectroscopy. The toxin was isotopically labeled with 13C and 15N and studied using two-dimensional homonuclear and three- and four-dimensional heteronuclear NMR spectroscopy. The final structure was determined using 501 constraints, comprising 422 NOE constraints, 60 dihedral angle constraints, 9 disulfide constraints, and 10 hydrogen bond constraints. Structures were initially determined with the program PEGASUS and subsequently refined with X-PLOR. The average rms deviation from a calculated average structure for the backbone atoms of residues 3-38 is 0.40 A. A helix is present from residues 11 to 20 and includes two proline residues at positions 15 and 16. A loop at residues 21-24 leads into a two-strand antiparallel sheet from residues 25 to 38 with a turn at residues 30-33. Residues 3-6 run adjacent to the 33-38 strand but do not form a canonical beta-strand. The two additional residues of margatoxin, relative to the related toxins charybdotoxin and iberiotoxin, insert in a manner that extends the beta-sheet by one residue. Otherwise, the global structure is very similar to that of these two other toxins. The longer sheet may have implications for channel selectivity.
Determination of the three-dimensional structure of margatoxin by 1H, 13C, 15N triple-resonance nuclear magnetic resonance spectroscopy.,Johnson BA, Stevens SP, Williamson JM Biochemistry. 1994 Dec 20;33(50):15061-70. PMID:7999764<ref>PMID:7999764</ref>
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 1mtx" style="background-color:#fffaf0;"></div>


==See Also==
==See Also==
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[[Category: Centruroides margaritatus]]
[[Category: Centruroides margaritatus]]
[[Category: Large Structures]]
[[Category: Large Structures]]
[[Category: Johnson, B A]]
[[Category: Johnson BA]]
[[Category: Stevens, S P]]
[[Category: Stevens SP]]
[[Category: Williamson, J M]]
[[Category: Williamson JM]]
[[Category: Toxin]]

Revision as of 11:41, 10 April 2024

DETERMINATION OF THE THREE-DIMENSIONAL STRUCTURE OF MARGATOXIN BY 1H, 13C, 15N TRIPLE-RESONANCE NUCLEAR MAGNETIC RESONANCE SPECTROSCOPYDETERMINATION OF THE THREE-DIMENSIONAL STRUCTURE OF MARGATOXIN BY 1H, 13C, 15N TRIPLE-RESONANCE NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY

Structural highlights

1mtx is a 1 chain structure with sequence from Centruroides margaritatus. Full experimental information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:Solution NMR
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

KAX22_CENMA Potent selective inhibitor of voltage-dependent potassium channels such as Kv1.3/KCNA3.[1]

Evolutionary Conservation

Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf.

See Also

References

  1. ↑ Garcia-Calvo M, Leonard RJ, Novick J, Stevens SP, Schmalhofer W, Kaczorowski GJ, Garcia ML. Purification, characterization, and biosynthesis of margatoxin, a component of Centruroides margaritatus venom that selectively inhibits voltage-dependent potassium channels. J Biol Chem. 1993 Sep 5;268(25):18866-74. PMID:8360176
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