2vj1

From Proteopedia

(Difference between revisions)

Revision as of 10:46, 7 July 2021

A Structural View of the Inactivation of the SARS-Coronavirus Main Proteinase by Benzotriazole Esters

Structural highlights

2vj1 is a 2 chain structure. This structure supersedes the now removed PDB entry 2cgg. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Ligands:	, ,
Resources:	FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

[A7J8L3_CVHSA] Nsp7-nsp8 hexadecamer may possibly confer processivity to the polymerase, maybe by binding to dsRNA or by producing primers utilized by the latter (By similarity).[SAAS:SAAS008740_004_014545] Nsp9 is a ssRNA-binding protein (By similarity).[SAAS:SAAS008740_004_001449]

Evolutionary Conservation

Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf.

Publication Abstract from PubMed

The main proteinase (M(pro)) of the severe acute respiratory syndrome (SARS) coronavirus is a principal target for the design of anticoronaviral compounds. Benzotriazole esters have been reported as potent nonpeptidic inhibitors of the enzyme, but their exact mechanism of action remains unclear. Here we present crystal structures of SARS-CoV M(pro), the active-site cysteine of which has been acylated by benzotriazole esters that act as suicide inhibitors. In one of the structures, the thioester product has been hydrolyzed and benzoic acid is observed to bind to the hydrophobic S2 pocket. This structure also features the enzyme with a shortened N-terminal segment ("amputated N finger"). The results further the understanding of the important role of the N finger for catalysis as well as the design of benzotriazole inhibitors with improved specificity.

A structural view of the inactivation of the SARS coronavirus main proteinase by benzotriazole esters.,Verschueren KH, Pumpor K, Anemuller S, Chen S, Mesters JR, Hilgenfeld R Chem Biol. 2008 Jun;15(6):597-606. PMID:18559270^[1]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

References

↑ Verschueren KH, Pumpor K, Anemuller S, Chen S, Mesters JR, Hilgenfeld R. A structural view of the inactivation of the SARS coronavirus main proteinase by benzotriazole esters. Chem Biol. 2008 Jun;15(6):597-606. PMID:18559270 doi:10.1016/j.chembiol.2008.04.011

1 Structural highlights
2 Function
3 Evolutionary Conservation
4 Publication Abstract from PubMed
5 See Also
6 References

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/2vj1"

@@ Line 3: / Line 3: @@
 <StructureSection load='2vj1' size='340' side='right'caption='[[2vj1]], [[Resolution|resolution]] 2.25&Aring;' scene=''>
 == Structural highlights ==
-<table><tr><td colspan='2'>[[2vj1]] is a 2 chain structure. This structure supersedes the now removed PDB entry [http://oca.weizmann.ac.il/oca-bin/send-pdb?obs=1&id=2cgg 2cgg]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2VJ1 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2VJ1 FirstGlance]. <br>
+<table><tr><td colspan='2'>[[2vj1]] is a 2 chain structure. This structure supersedes the now removed PDB entry [http://oca.weizmann.ac.il/oca-bin/send-pdb?obs=1&id=2cgg 2cgg]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2VJ1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2VJ1 FirstGlance]. <br>
-</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BEZ:BENZOIC+ACID'>BEZ</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=XP1:4-(DIMETHYLAMINO)BENZOIC+ACID'>XP1</scene></td></tr>
+</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BEZ:BENZOIC+ACID'>BEZ</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=XP1:4-(DIMETHYLAMINO)BENZOIC+ACID'>XP1</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=2vj1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vj1 OCA], [http://pdbe.org/2vj1 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2vj1 RCSB], [http://www.ebi.ac.uk/pdbsum/2vj1 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2vj1 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=2vj1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vj1 OCA], [https://pdbe.org/2vj1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2vj1 RCSB], [https://www.ebi.ac.uk/pdbsum/2vj1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2vj1 ProSAT]</span></td></tr>
 </table>
 == Function ==
-[[http://www.uniprot.org/uniprot/A7J8L3_CVHSA A7J8L3_CVHSA]] Nsp7-nsp8 hexadecamer may possibly confer processivity to the polymerase, maybe by binding to dsRNA or by producing primers utilized by the latter (By similarity).[SAAS:SAAS008740_004_014545]  Nsp9 is a ssRNA-binding protein (By similarity).[SAAS:SAAS008740_004_001449]
+[[https://www.uniprot.org/uniprot/A7J8L3_CVHSA A7J8L3_CVHSA]] Nsp7-nsp8 hexadecamer may possibly confer processivity to the polymerase, maybe by binding to dsRNA or by producing primers utilized by the latter (By similarity).[SAAS:SAAS008740_004_014545]  Nsp9 is a ssRNA-binding protein (By similarity).[SAAS:SAAS008740_004_001449]
 == Evolutionary Conservation ==
 [[Image:Consurf_key_small.gif|200px|right]]
@@ Line 31: / Line 31: @@
 ==See Also==
 *[[SARS Coronavirus Main Proteinase|SARS Coronavirus Main Proteinase]]
+*[[Virus protease 3D structures|Virus protease 3D structures]]
 == References ==
 <references/>

2vj1

From Proteopedia

Revision as of 10:46, 7 July 2021

A Structural View of the Inactivation of the SARS-Coronavirus Main Proteinase by Benzotriazole Esters

Structural highlights

Function

Evolutionary Conservation

Publication Abstract from PubMed

See Also

References

Contents

Proteopedia Page Contributors and Editors (what is this?)

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