3ni3: Difference between revisions
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==54-Membered ring macrocyclic beta-sheet peptide== | |||
===54- | <StructureSection load='3ni3' size='340' side='right' caption='[[3ni3]], [[Resolution|resolution]] 1.34Å' scene=''> | ||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[3ni3]] is a 12 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3NI3 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3NI3 FirstGlance]. <br> | |||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=IPA:ISOPROPYL+ALCOHOL'>IPA</scene></td></tr> | |||
<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=4BF:4-BROMO-L-PHENYLALANINE'>4BF</scene>, <scene name='pdbligand=HAO:{[3-(HYDRAZINOCARBONYL)-4-METHOXYPHENYL]AMINO}(OXO)ACETIC+ACID'>HAO</scene>, <scene name='pdbligand=ORN:L-ORNITHINE'>ORN</scene></td></tr> | |||
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3ni3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3ni3 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3ni3 RCSB], [http://www.ebi.ac.uk/pdbsum/3ni3 PDBsum]</span></td></tr> | |||
</table> | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
This paper describes the X-ray crystallographic structure of a designed cyclic beta-sheet peptide that forms a well-defined hydrogen-bonded dimer that mimics beta-sheet dimers formed by proteins. The 54-membered ring macrocyclic peptide (1a) contains molecular template and turn units that induce beta-sheet structure in a heptapeptide strand that forms the dimerization interface. The X-ray crystallographic structure reveals the structures of the two "Hao" amino acids that help template the beta-sheet structure and the two delta-linked ornithine turn units that link the Hao-containing template to the heptapeptide beta-strand. The Hao amino acids adopt a conformation that resembles a tripeptide in a beta-strand conformation, with one edge of the Hao unit presenting an alternating array of hydrogen-bond donor and acceptor groups in the same pattern as that of a tripeptide beta-strand. The delta-linked ornithines adopt a conformation that resembles a hydrogen-bonded beta-turn, in which the ornithine takes the place of the i+1 and i+2 residues. The dimers formed by macrocyclic beta-sheet 1a resemble the dimers of many proteins, such as defensin HNP-3, the lambda-Cro repressor, interleukin 8, and the ribonuclease H domain of HIV-1 reverse transcriptase. The dimers of 1a self-assemble in the solid state into a barrel-shaped trimer of dimers in which the three dimers are arranged in a triangular fashion. Molecular modeling in which one of the three dimers is removed and the remaining two dimers are aligned face-to-face provides a model of the dimers of dimers of closely related macrocyclic beta-sheet peptides that were observed in solution. | |||
X-ray crystallographic structure of an artificial beta-sheet dimer.,Khakshoor O, Lin AJ, Korman TP, Sawaya MR, Tsai SC, Eisenberg D, Nowick JS J Am Chem Soc. 2010 Aug 25;132(33):11622-8. PMID:20669960<ref>PMID:20669960</ref> | |||
== | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
</div> | |||
[[Category: Eisenberg, D | == References == | ||
[[Category: Khakshoor, O | <references/> | ||
[[Category: Korman, T P | __TOC__ | ||
[[Category: Nowick, J S | </StructureSection> | ||
[[Category: Sawaya, M R | [[Category: Eisenberg, D]] | ||
[[Category: Khakshoor, O]] | |||
[[Category: Korman, T P]] | |||
[[Category: Nowick, J S]] | |||
[[Category: Sawaya, M R]] | |||
[[Category: Artificial beta sheet dimer]] | [[Category: Artificial beta sheet dimer]] | ||
[[Category: Unknown function]] | [[Category: Unknown function]] | ||
