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| | <StructureSection load='6ann' size='340' side='right'caption='[[6ann]], [[Resolution|resolution]] 0.76Å' scene=''> | | <StructureSection load='6ann' size='340' side='right'caption='[[6ann]], [[Resolution|resolution]] 0.76Å' scene=''> |
| | == Structural highlights == | | == Structural highlights == |
| - | <table><tr><td colspan='2'>[[6ann]] is a 5 chain structure. 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 [http://proteopedia.org/fgij/fg.htm?mol=6ANN FirstGlance]. <br> | + | <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='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EOH:ETHANOL'>EOH</scene></td></tr> | + | </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='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue|NonStd Res:]]</b></td><td class="sblockDat"><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=ZAE:N-METHYL-D-PHENYLALANINE'>ZAE</scene></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='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[6anm|6anm]]</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> |
| - | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=6ann FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6ann OCA], [http://pdbe.org/6ann PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6ann RCSB], [http://www.ebi.ac.uk/pdbsum/6ann PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6ann ProSAT]</span></td></tr> | + | |
| | </table> | | </table> |
| | <div style="background-color:#fffaf0;"> | | <div style="background-color:#fffaf0;"> |
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| | </StructureSection> | | </StructureSection> |
| | [[Category: Large Structures]] | | [[Category: Large Structures]] |
| - | [[Category: Cameron, A J]] | + | [[Category: Synthetic construct]] |
| - | [[Category: Sarojini, V]] | + | [[Category: Cameron AJ]] |
| - | [[Category: Squire, C J]] | + | [[Category: Sarojini V]] |
| - | [[Category: Cyclic peptide]] | + | [[Category: Squire CJ]] |
| - | [[Category: D-amino acid]]
| + | |
| - | [[Category: De novo protein]]
| + | |
| - | [[Category: Peptidomimetic beta-turn]]
| + | |
| - | [[Category: Tetrapeptide]]
| + | |
| - | [[Category: Unnatural amino acid]]
| + | |
| Structural highlights
6ann is a 5 chain structure with sequence from Synthetic construct. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
| | Method: | X-ray diffraction, Resolution 0.76Å |
| Ligands: | , , , , |
| Resources: | FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT |
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[1]
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.
References
- ↑ Cameron AJ, Squire CJ, Edwards PJB, Harjes E, Sarojini V. Crystal and NMR Structures of a Peptidomimetic beta-turn which provides facile synthesis of 13-membered Cyclic Tetrapeptides. Chem Asian J. 2017 Nov 2. doi: 10.1002/asia.201701422. PMID:29098772 doi:http://dx.doi.org/10.1002/asia.201701422
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