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'''Unreleased structure'''


The entry 22gi is ON HOLD
==3D1 Fab in complex with pepAVVNQN==
<StructureSection load='22gi' size='340' side='right'caption='[[22gi]], [[Resolution|resolution]] 2.64&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[22gi]] is a 12 chain structure with sequence from [https://en.wikipedia.org/wiki/Coroavirus Coroavirus] and [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=22GI OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=22GI 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]] 2.64&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=SO4:SULFATE+ION'>SO4</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=22gi FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=22gi OCA], [https://pdbe.org/22gi PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=22gi RCSB], [https://www.ebi.ac.uk/pdbsum/22gi PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=22gi ProSAT]</span></td></tr>
</table>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
The broadly neutralizing monoclonal antibody 3D1 potently neutralizes SADS-CoV by targeting a conserved epitope within the heptad repeat 1 (HR1) domain of the viral spike protein. Structural and biophysical analyses demonstrate that 3D1 binds with high affinity to a specific linear beta-turn motif (residues A804-N809) in HR1. High-resolution crystallography reveals that this motif sits within a deep, electrostatically complementary paratope groove. Critically, 3D1 binding competitively inhibits the essential interaction between HR1 and HR2. Notably, its recognition is not dependent on HR1's native helical conformation, as it maintains strong binding to conformationally constrained, stapled helical peptides. Collectively, the data indicate that 3D1 neutralizes by capturing a pre-hairpin intermediate state of HR1-a transition state between prefusion and postfusion forms-thereby sterically blocking the formation of the stable postfusion six-helix bundle that is essential for membrane fusion. This work defines a precise, structure-dependent neutralizing epitope and elucidates a mechanism of action that involves trapping a key fusion intermediate, offering a valuable template for the design of broad-spectrum coronavirus therapeutics.


Authors: Lei, Y.
Elucidating the Molecular Mechanism of 3D1 Antibody Binding to a Swine Enteric Coronavirus Antigen.,Zhang L, Liang Z, Yang G, Yan L Viruses. 2026 Feb 5;18(2):208. doi: 10.3390/v18020208. PMID:41754551<ref>PMID:41754551</ref>


Description: 3D1 Fab in complex with pepAVVNQN
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
[[Category: Unreleased Structures]]
</div>
[[Category: Lei, Y]]
<div class="pdbe-citations 22gi" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Coroavirus]]
[[Category: Homo sapiens]]
[[Category: Large Structures]]
[[Category: Lei Y]]
Retrieved from "https://proteopedia.org/22gi"