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| | ==Solution structure of cis(C2-P3) trans (D5-P6) form of lO959 in water== | | ==Solution structure of cis(C2-P3) trans (D5-P6) form of lO959 in water== |
| - | <StructureSection load='2m6g' size='340' side='right'caption='[[2m6g]], [[NMR_Ensembles_of_Models | 10 NMR models]]' scene=''> | + | <StructureSection load='2m6g' size='340' side='right'caption='[[2m6g]]' scene=''> |
| | == Structural highlights == | | == Structural highlights == |
| - | <table><tr><td colspan='2'>[[2m6g]] is a 1 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2M6G OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=2M6G FirstGlance]. <br> | + | <table><tr><td colspan='2'>[[2m6g]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Conus_buxeus_loroisii Conus buxeus loroisii]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2M6G OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2M6G FirstGlance]. <br> |
| - | </td></tr><tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=DTR:D-TRYPTOPHAN'>DTR</scene></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='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[2m6c|2m6c]], [[2m6d|2m6d]], [[2m6e|2m6e]], [[2m6f|2m6f]], [[2m6h|2m6h]]</td></tr> | + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=DTR:D-TRYPTOPHAN'>DTR</scene></td></tr> |
| - | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=2m6g FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2m6g OCA], [http://pdbe.org/2m6g PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2m6g RCSB], [http://www.ebi.ac.uk/pdbsum/2m6g PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2m6g ProSAT]</span></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=2m6g FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2m6g OCA], [https://pdbe.org/2m6g PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2m6g RCSB], [https://www.ebi.ac.uk/pdbsum/2m6g PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2m6g ProSAT]</span></td></tr> |
| | </table> | | </table> |
| | == Function == | | == Function == |
| - | [[http://www.uniprot.org/uniprot/COW_CONLO COW_CONLO]] Activates high voltage-activated calcium channels (Cav). This activity is in contrast to other contryphans that inhibit high voltage-gated calcium channels. | + | [https://www.uniprot.org/uniprot/COW1_CONBL COW1_CONBL] Activates high voltage-activated calcium channels (Cav). This activity is in contrast to other contryphans that inhibit high voltage-gated calcium channels.<ref>PMID:16945451</ref> |
| | <div style="background-color:#fffaf0;"> | | <div style="background-color:#fffaf0;"> |
| | == Publication Abstract from PubMed == | | == Publication Abstract from PubMed == |
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| | __TOC__ | | __TOC__ |
| | </StructureSection> | | </StructureSection> |
| | + | [[Category: Conus buxeus loroisii]] |
| | [[Category: Large Structures]] | | [[Category: Large Structures]] |
| - | [[Category: Sonti, R]] | + | [[Category: Sonti R]] |
| - | [[Category: Lo959]]
| + | |
| - | [[Category: Toxin]]
| + | |
| - | [[Category: Water]]
| + | |
| Structural highlights
Function
COW1_CONBL Activates high voltage-activated calcium channels (Cav). This activity is in contrast to other contryphans that inhibit high voltage-gated calcium channels.[1]
Publication Abstract from PubMed
Conformational diversity or "shapeshifting" in cyclic peptide natural products can, in principle, confer a single molecular entity with the property of binding to multiple receptors. Conformational equilibria have been probed in the contryphans, which are peptides derived from Conus venom possessing a 23-membered cyclic disulfide moiety. The natural sequences derived from Conus inscriptus, GCV(D) LYPWC* (In936) and Conus loroisii, GCP(D) WDPWC* (Lo959) differ in the number of proline residues within the macrocyclic ring. Structural characterisation of distinct conformational states arising from cis-trans equilibria about Xxx-Pro bonds is reported. Isomerisation about the C2-P3 bond is observed in the case of Lo959 and about the Y5-P6 bond in In936. Evidence is presented for as many as four distinct species in the case of the synthetic analogue V3P In936. The Tyr-Pro-Trp segment in In936 is characterised by distinct sidechain orientations as a consequence of aromatic/proline interactions as evidenced by specific sidechain-sidechain nuclear Overhauser effects and ring current shifted proton chemical shifts. Molecular dynamics simulations suggest that Tyr5 and Trp7 sidechain conformations are correlated and depend on the geometry of the Xxx-Pro bond. Thermodynamic parameters are derived for the cis<--> trans equilibrium for In936. Studies on synthetic analogues provide insights into the role of sequence effects in modulating isomerisation about Xxx-Pro bonds.
Conformational Diversity in Contryphans from Conus Venom: cis-trans Isomerisation and Aromatic/Proline Interactions in the 23-Membered Ring of a 7-Residue Peptide Disulfide Loop.,Sonti R, Gowd KH, Rao KN, Ragothama S, Rodriguez A, Perez JJ, Balaram P Chemistry. 2013 Nov 4;19(45):15175-89. doi: 10.1002/chem.201301722. Epub 2013 Sep, 23. PMID:24115170[2]
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.
References
- ↑ Sabareesh V, Gowd KH, Ramasamy P, Sudarslal S, Krishnan KS, Sikdar SK, Balaram P. Characterization of contryphans from Conus loroisii and Conus amadis that target calcium channels. Peptides. 2006 Nov;27(11):2647-54. PMID:16945451 doi:10.1016/j.peptides.2006.07.009
- ↑ Sonti R, Gowd KH, Rao KN, Ragothama S, Rodriguez A, Perez JJ, Balaram P. Conformational Diversity in Contryphans from Conus Venom: cis-trans Isomerisation and Aromatic/Proline Interactions in the 23-Membered Ring of a 7-Residue Peptide Disulfide Loop. Chemistry. 2013 Nov 4;19(45):15175-89. doi: 10.1002/chem.201301722. Epub 2013 Sep, 23. PMID:24115170 doi:http://dx.doi.org/10.1002/chem.201301722
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