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4rz8

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==Crystal structure of HIV-1 gp120 core in complex with NBD-11021, a small molecule CD4-antagonist==
==Crystal structure of HIV-1 gp120 core in complex with NBD-11021, a small molecule CD4-antagonist==
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<StructureSection load='4rz8' size='340' side='right' caption='[[4rz8]], [[Resolution|resolution]] 1.90&Aring;' scene=''>
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<StructureSection load='4rz8' size='340' side='right'caption='[[4rz8]], [[Resolution|resolution]] 1.90&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4rz8]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4RZ8 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4RZ8 FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4rz8]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Human_immunodeficiency_virus_1 Human immunodeficiency virus 1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4RZ8 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4RZ8 FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3ZM:5-(4-CHLOROPHENYL)-N-{(S)-[5-(HYDROXYMETHYL)-4-METHYL-1,3-THIAZOL-2-YL][(2R)-PIPERIDIN-2-YL]METHYL}-1H-PYRROLE-2-CARBOXAMIDE'>3ZM</scene>, <scene name='pdbligand=EPE:4-(2-HYDROXYETHYL)-1-PIPERAZINE+ETHANESULFONIC+ACID'>EPE</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene></td></tr>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.9&#8491;</td></tr>
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<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=4rz8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4rz8 OCA], [http://pdbe.org/4rz8 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4rz8 RCSB], [http://www.ebi.ac.uk/pdbsum/4rz8 PDBsum]</span></td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=3ZM:5-(4-CHLOROPHENYL)-N-{(S)-[5-(HYDROXYMETHYL)-4-METHYL-1,3-THIAZOL-2-YL][(2R)-PIPERIDIN-2-YL]METHYL}-1H-PYRROLE-2-CARBOXAMIDE'>3ZM</scene>, <scene name='pdbligand=EPE:4-(2-HYDROXYETHYL)-1-PIPERAZINE+ETHANESULFONIC+ACID'>EPE</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=4rz8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4rz8 OCA], [https://pdbe.org/4rz8 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4rz8 RCSB], [https://www.ebi.ac.uk/pdbsum/4rz8 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4rz8 ProSAT]</span></td></tr>
</table>
</table>
== Function ==
== Function ==
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[[http://www.uniprot.org/uniprot/Q0ED31_9HIV1 Q0ED31_9HIV1]] The envelope glyprotein gp160 precursor down-modulates cell surface CD4 antigen by interacting with it in the endoplasmic reticulum and blocking its transport to the cell surface (By similarity).[RuleBase:RU004292][SAAS:SAAS000328_004_020447] The gp120-gp41 heterodimer allows rapid transcytosis of the virus through CD4 negative cells such as simple epithelial monolayers of the intestinal, rectal and endocervical epithelial barriers. Both gp120 and gp41 specifically recognize glycosphingolipids galactosyl-ceramide (GalCer) or 3' sulfo-galactosyl-ceramide (GalS) present in the lipid rafts structures of epithelial cells. Binding to these alternative receptors allows the rapid transcytosis of the virus through the epithelial cells. This transcytotic vesicle-mediated transport of virions from the apical side to the basolateral side of the epithelial cells does not involve infection of the cells themselves (By similarity).
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[https://www.uniprot.org/uniprot/A0A0M3KKW9_9HIV1 A0A0M3KKW9_9HIV1]
<div style="background-color:#fffaf0;">
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
== Publication Abstract from PubMed ==
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</div>
</div>
<div class="pdbe-citations 4rz8" style="background-color:#fffaf0;"></div>
<div class="pdbe-citations 4rz8" style="background-color:#fffaf0;"></div>
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==See Also==
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*[[Gp120 3D structures|Gp120 3D structures]]
== References ==
== References ==
<references/>
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Debnath, A K]]
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[[Category: Human immunodeficiency virus 1]]
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[[Category: Kwon, Y D]]
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[[Category: Large Structures]]
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[[Category: Kwong, P D]]
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[[Category: Debnath AK]]
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[[Category: Hiv-1 gp120]]
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[[Category: Kwon YD]]
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[[Category: Nbd-11021]]
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[[Category: Kwong PD]]
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[[Category: Phe 43 cavity]]
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[[Category: Small molecule cd4-antagonist]]
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[[Category: Viral protein]]
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Current revision

Crystal structure of HIV-1 gp120 core in complex with NBD-11021, a small molecule CD4-antagonist

PDB ID 4rz8

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