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3njq

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==Crystal structure of Kaposi's sarcoma-associated herpesvirus protease in complex with dimer disruptor==
==Crystal structure of Kaposi's sarcoma-associated herpesvirus protease in complex with dimer disruptor==
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<StructureSection load='3njq' size='340' side='right' caption='[[3njq]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
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<StructureSection load='3njq' size='340' side='right'caption='[[3njq]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[3njq]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Human_herpesvirus_8_type_m Human herpesvirus 8 type m]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3NJQ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3NJQ FirstGlance]. <br>
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<table><tr><td colspan='2'>[[3njq]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Human_herpesvirus_8_type_M Human herpesvirus 8 type M]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3NJQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3NJQ 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=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=NJQ:3-BENZYL-4-({[6-(CYCLOHEXYLMETHYL)PYRIDIN-2-YL]CARBONYL}AMINO)BENZOIC+ACID'>NJQ</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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]] 2&#8491;</td></tr>
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<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=CSO:S-HYDROXYCYSTEINE'>CSO</scene></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=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=CSO:S-HYDROXYCYSTEINE'>CSO</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=NJQ:3-BENZYL-4-({[6-(CYCLOHEXYLMETHYL)PYRIDIN-2-YL]CARBONYL}AMINO)BENZOIC+ACID'>NJQ</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">Rhadinovirus ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=435895 Human herpesvirus 8 type M])</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=3njq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3njq OCA], [https://pdbe.org/3njq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3njq RCSB], [https://www.ebi.ac.uk/pdbsum/3njq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3njq ProSAT]</span></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=3njq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3njq OCA], [http://pdbe.org/3njq PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3njq RCSB], [http://www.ebi.ac.uk/pdbsum/3njq PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3njq ProSAT]</span></td></tr>
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</table>
</table>
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<div style="background-color:#fffaf0;">
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== Function ==
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== Publication Abstract from PubMed ==
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[https://www.uniprot.org/uniprot/P88911_HHV8 P88911_HHV8]
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All members of the human herpesvirus protease (HHV Pr) family are active as weakly associating dimers but inactive as monomers. A small-molecule allosteric inhibitor of Kaposi's sarcoma-associated herpesvirus protease (KSHV Pr) traps the enzyme in an inactive monomeric state where the C-terminal helices are unfolded and the hydrophobic dimer interface is exposed. NMR titration studies demonstrate that the inhibitor binds to KSHV Pr monomers with low micromolar affinity. A 2.0-A-resolution X-ray crystal structure of a C-terminal truncated KSHV Pr-inhibitor complex locates the binding pocket at the dimer interface and displays significant conformational perturbations at the active site, 15 A from the allosteric site. NMR and CD data suggest that the small molecule inhibits human cytomegalovirus protease via a similar mechanism. As all HHV Prs are functionally and structurally homologous, the inhibitor represents a class of compounds that may be developed into broad-spectrum therapeutics that allosterically regulate enzymatic activity by disrupting protein-protein interactions.
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Enzyme inhibition by allosteric capture of an inactive conformation.,Lee GM, Shahian T, Baharuddin A, Gable JE, Craik CS J Mol Biol. 2011 Sep 2;411(5):999-1016. Epub 2011 Jun 22. PMID:21723875<ref>PMID:21723875</ref>
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==See Also==
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*[[Virus protease 3D structures|Virus protease 3D structures]]
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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<div class="pdbe-citations 3njq" style="background-color:#fffaf0;"></div>
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== References ==
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<references/>
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Human herpesvirus 8 type m]]
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[[Category: Human herpesvirus 8 type M]]
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[[Category: Baharuddin, A]]
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[[Category: Large Structures]]
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[[Category: Herpesvirus protease]]
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[[Category: Baharuddin A]]
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[[Category: Kshv]]
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[[Category: Kshv protease]]
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[[Category: Protein-dimer disruptor complex]]
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[[Category: Viral protein-inhibitor complex]]
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Current revision

Crystal structure of Kaposi's sarcoma-associated herpesvirus protease in complex with dimer disruptor

PDB ID 3njq

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