View source for 8fxq


==The Crystal Sturucture of Rhizopuspepsin with a bound modified peptide inhibitor generated by de novo drug design.==
<StructureSection load='8fxq' size='340' side='right'caption='[[8fxq]], [[Resolution|resolution]] 1.21&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[8fxq]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Rhizopus_microsporus_var._chinensis Rhizopus microsporus var. chinensis] and [https://en.wikipedia.org/wiki/Synthetic_construct Synthetic construct]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8FXQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8FXQ 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]] 1.21&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CHX:CYCLOHEXANE'>CHX</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</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=8fxq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8fxq OCA], [https://pdbe.org/8fxq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8fxq RCSB], [https://www.ebi.ac.uk/pdbsum/8fxq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8fxq ProSAT]</span></td></tr>
</table>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
[reaction: see text] Novel tripeptide-derived peptidomimetics 1, 7ab, and 8ab, inspired by templates generated by the structure-generating program GrowMol, were synthesized, shown to inhibit Rhizopus chinensis pepsin, and found by X-ray crystallography to bind to the enzyme in the GrowMol-predicted mode. Repetitive evaluation of the computer-generated templates for synthetic feasibility and optimal enzyme interactions led to the designed compounds.

Aspartic protease inhibitors designed from computer-generated templates bind as predicted.,Ripka AS, Satyshur KA, Bohacek RS, Rich DH Org Lett. 2001 Jul 26;3(15):2309-12. doi: 10.1021/ol016090+. PMID:11463303<ref>PMID:11463303</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 8fxq" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Rhizopus microsporus var. chinensis]]
[[Category: Synthetic construct]]
[[Category: Rich DH]]
[[Category: Ripka AS]]
[[Category: Satyshur KA]]