4m1d: Difference between revisions

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{{STRUCTURE_4m1d|  PDB=4m1d  |  SCENE=  }}
==Crystal structure of anti-HIV-1 Fab 447-52D in complex with V3 cyclic peptide MN==
===Crystal structure of anti-HIV-1 Fab 447-52D in complex with V3 cyclic peptide MN===
<StructureSection load='4m1d' size='340' side='right' caption='[[4m1d]], [[Resolution|resolution]] 1.80&Aring;' scene=''>
{{ABSTRACT_PUBMED_23944979}}
== Structural highlights ==
<table><tr><td colspan='2'>[[4m1d]] is a 6 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4M1D OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4M1D FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</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=4m1d FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4m1d OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4m1d RCSB], [http://www.ebi.ac.uk/pdbsum/4m1d PDBsum]</span></td></tr>
</table>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
The third variable region (V3) of HIV-1 gp120 plays a key role in viral entry into host cells; thus, it is a potential target for vaccine design. Human monoclonal antibody (mAb) 447-52D is one of the most broadly and potently neutralizing anti-V3 mAbs. We further characterized the 447-52D epitope by determining a high-resolution crystal structure of the Fab fragment in complex with a cyclic V3 and interrogated the antigen-antibody interaction by a combination of site-specific mutagenesis, isothermal titration calorimetry (ITC) and neutralization assays. We found that 447-52D's neutralization capability is correlated with its binding affinity and at 25 degrees C the Gibbs free binding energy is composed of a large enthalpic component and a small favorable entropic component. The large enthalpic contribution is due to (i) an extensive hydrogen bond network, (ii) a pi-cation sandwiching the V3 crown apex residue Arg315, and (iii) a salt bridge between the 447-52D heavy chain residue AspH95 and Arg315. Arg315 is often harbored by clade B viruses; thus, our data explained why 447-52D preferentially neutralizes clade B viruses. Interrogation of the thermodynamic signatures of residues at the antigen binding interface gives key insights into their contributions in the antigen-antibody interaction.


==About this Structure==
Thermodynamic Signatures of the Antigen Binding Site of mAb 447-52D Targeting the Third Variable Region of HIV-1 gp120.,Killikelly A, Zhang HT, Spurrier B, Williams C, Gorny MK, Zolla-Pazner S, Kong XP Biochemistry. 2013 Aug 23. PMID:23944979<ref>PMID:23944979</ref>
[[4m1d]] is a 6 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4M1D OCA].


==Reference==
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
<ref group="xtra">PMID:023944979</ref><references group="xtra"/><references/>
</div>
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Human]]
[[Category: Human]]
[[Category: Killikelly, A.]]
[[Category: Killikelly, A]]
[[Category: Kong, X P.]]
[[Category: Kong, X P]]
[[Category: Antibody-antigen interaction]]
[[Category: Antibody-antigen interaction]]
[[Category: Envelope]]
[[Category: Envelope]]
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