View source for 2rqo


==Solution structure of Polytheonamide B==
<StructureSection load='2rqo' size='340' side='right'caption='[[2rqo]]' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[2rqo]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Theonella_sp. Theonella sp.]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2RQO OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2RQO FirstGlance]. <br>
</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='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=2TL:D-ALLOTHREONINE'>2TL</scene>, <scene name='pdbligand=DAL:D-ALANINE'>DAL</scene>, <scene name='pdbligand=DHV:3-HYDROXY-D-VALINE'>DHV</scene>, <scene name='pdbligand=DSG:D-ASPARAGINE'>DSG</scene>, <scene name='pdbligand=DSN:D-SERINE'>DSN</scene>, <scene name='pdbligand=HTN:(3R)-3-HYDROXY-N-METHYL-D-ASPARAGINE'>HTN</scene>, <scene name='pdbligand=HVA:3-HYDROXY-L-VALINE'>HVA</scene>, <scene name='pdbligand=I2M:3-METHYL-L-ALLOISOLEUCINE'>I2M</scene>, <scene name='pdbligand=LMQ:(3S)-3-METHYL-L-GLUTAMINE'>LMQ</scene>, <scene name='pdbligand=M2S:3-{[(R)-METHYLSULFINYL]METHYL}-L-VALINE'>M2S</scene>, <scene name='pdbligand=MHE:5,5-DIMETHYL-2-OXOHEXANOIC+ACID'>MHE</scene>, <scene name='pdbligand=MND:N-METHYL-D-ASPARAGINE'>MND</scene>, <scene name='pdbligand=PRD_000224:Polytheonamide+B'>PRD_000224</scene>, <scene name='pdbligand=TBG:3-METHYL-L-VALINE'>TBG</scene>, <scene name='pdbligand=TDD:(2R)-2-AMINO-3,3-DIMETHYL-BUTANOIC+ACID'>TDD</scene></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=2rqo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2rqo OCA], [https://pdbe.org/2rqo PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2rqo RCSB], [https://www.ebi.ac.uk/pdbsum/2rqo PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2rqo ProSAT]</span></td></tr>
</table>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Polytheonamide B (pTB), a highly cytotoxic polypeptide, is one of the most unusual nonribosomal peptides of sponge origin. pTB is a linear 48-residue peptide with alternating d- and l-amino acids and contains a total of eight types of nonproteinogenic amino acids. To investigate the mechanisms underlying its cytotoxic activity, we determined the three-dimensional structure of pTB by NMR spectroscopy, structure calculation, and energy minimization. pTB adopts a single right-handed beta(6.3)-helical structure in a 1:1 mixture of methanol/chloroform with a length of approximately 45 A and a hydrophilic pore of ca. 4 A inner diameter. These features indicate that pTB molecules form transmembrane channels that permeate monovalent cations as gramicidin A channels do. The strong cytotoxicity of pTB can be ascribed to its ability to form single molecule channels through biological membranes.

Solution Structure of Polytheonamide B, a Highly Cytotoxic Nonribosomal Polypeptide from Marine Sponge.,Hamada T, Matsunaga S, Fujiwara M, Fujita K, Hirota H, Schmucki R, Guntert P, Fusetani N J Am Chem Soc. 2010 Aug 26. PMID:20795624<ref>PMID:20795624</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 2rqo" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Theonella sp]]
[[Category: Fujiwara M]]
[[Category: Fujjita K]]
[[Category: Fusetani N]]
[[Category: Guntert P]]
[[Category: Hamada N]]
[[Category: Hirota H]]
[[Category: Matsunaga S]]
[[Category: Schmucki R]]