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| | <StructureSection load='4m1d' size='340' side='right'caption='[[4m1d]], [[Resolution|resolution]] 1.80Å' scene=''> | | <StructureSection load='4m1d' size='340' side='right'caption='[[4m1d]], [[Resolution|resolution]] 1.80Å' scene=''> |
| | == Structural highlights == | | == 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> | + | <table><tr><td colspan='2'>[[4m1d]] is a 6 chain structure with sequence from [https://en.wikipedia.org/wiki/HIV-1_M:B_MN HIV-1 M:B_MN] 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=4M1D OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/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> | + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><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://pdbe.org/4m1d PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4m1d RCSB], [http://www.ebi.ac.uk/pdbsum/4m1d PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4m1d ProSAT]</span></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=4m1d FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4m1d OCA], [https://pdbe.org/4m1d PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4m1d RCSB], [https://www.ebi.ac.uk/pdbsum/4m1d PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4m1d ProSAT]</span></td></tr> |
| | </table> | | </table> |
| | + | == Function == |
| | + | [https://www.uniprot.org/uniprot/A2NUT2_HUMAN A2NUT2_HUMAN] |
| | <div style="background-color:#fffaf0;"> | | <div style="background-color:#fffaf0;"> |
| | == Publication Abstract from PubMed == | | == Publication Abstract from PubMed == |
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| | __TOC__ | | __TOC__ |
| | </StructureSection> | | </StructureSection> |
| - | [[Category: Human]] | + | [[Category: HIV-1 M:B_MN]] |
| | + | [[Category: Homo sapiens]] |
| | [[Category: Large Structures]] | | [[Category: Large Structures]] |
| - | [[Category: Killikelly, A]] | + | [[Category: Killikelly A]] |
| - | [[Category: Kong, X P]] | + | [[Category: Kong XP]] |
| - | [[Category: Antibody-antigen interaction]]
| + | |
| - | [[Category: Envelope]]
| + | |
| - | [[Category: Hiv]]
| + | |
| - | [[Category: Immune system]]
| + | |
| - | [[Category: V3 loop]]
| + | |
| Structural highlights
Function
A2NUT2_HUMAN
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.
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[1]
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.
References
- ↑ Killikelly A, Zhang HT, Spurrier B, Williams C, Gorny MK, Zolla-Pazner S, Kong XP. Thermodynamic Signatures of the Antigen Binding Site of mAb 447-52D Targeting the Third Variable Region of HIV-1 gp120. Biochemistry. 2013 Aug 23. PMID:23944979 doi:10.1021/bi400645e
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