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6ann
From Proteopedia
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| - | '''Unreleased structure''' | ||
| - | + | ==Structure of cyclic D-Leu-N-methyl-D-Phe-2-Abz-D-Ala at 0.76 Angstrom== | |
| + | <StructureSection load='6ann' size='340' side='right'caption='[[6ann]], [[Resolution|resolution]] 0.76Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[6ann]] is a 5 chain structure with sequence from [https://en.wikipedia.org/wiki/Synthetic_construct Synthetic construct]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6ANN OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6ANN FirstGlance]. <br> | ||
| + | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 0.76Å</td></tr> | ||
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BE2:2-AMINOBENZOIC+ACID'>BE2</scene>, <scene name='pdbligand=DAL:D-ALANINE'>DAL</scene>, <scene name='pdbligand=DLE:D-LEUCINE'>DLE</scene>, <scene name='pdbligand=EOH:ETHANOL'>EOH</scene>, <scene name='pdbligand=ZAE:N-METHYL-D-PHENYLALANINE'>ZAE</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=6ann FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6ann OCA], [https://pdbe.org/6ann PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6ann RCSB], [https://www.ebi.ac.uk/pdbsum/6ann PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6ann ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Herein we report the unique conformations adopted by linear and cyclic tetrapeptides (CTPs) containing 2-aminobenzoic acid (2-Abz) in solution and as single crystals. The crystal structure of the linear tetrapeptide H2N-D-Leu-D-Phe-2-Abz-D-Ala-COOH (1) reveals a novel planar peptidomimetic beta-turn stabilized by three hydrogen bonds and is in agreement with its NMR structure in solution. While CTPs are often synthetically inaccessible or cyclize in poor yield, both 1 and its N-Me-D-Phe analogue (2) adopt pseudo-cyclic frameworks enabling near quantitative conversion to the corresponding CTPs 3 and 4. The crystal structure of the N-methylated peptide (4) is the first reported for a 2-Abz containing CTP and reveals a distinctly planar 13-membered ring which is also evident in solution. The N-methylation of D-Phe results in a peptide bond inversion compared to the solution conformation of 3. | ||
| - | + | Crystal and NMR Structures of a Peptidomimetic beta-turn which provides facile synthesis of 13-membered Cyclic Tetrapeptides.,Cameron AJ, Squire CJ, Edwards PJB, Harjes E, Sarojini V Chem Asian J. 2017 Nov 2. doi: 10.1002/asia.201701422. PMID:29098772<ref>PMID:29098772</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | [[Category: | + | </div> |
| + | <div class="pdbe-citations 6ann" style="background-color:#fffaf0;"></div> | ||
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Large Structures]] | ||
| + | [[Category: Synthetic construct]] | ||
| + | [[Category: Cameron AJ]] | ||
| + | [[Category: Sarojini V]] | ||
| + | [[Category: Squire CJ]] | ||
Current revision
Structure of cyclic D-Leu-N-methyl-D-Phe-2-Abz-D-Ala at 0.76 Angstrom
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