1dxp: Difference between revisions
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[[Image:1dxp.gif|left|200px]] | [[Image:1dxp.gif|left|200px]] | ||
'''INHIBITION OF THE HEPATITIS C VIRUS NS3/4A PROTEASE. THE CRYSTAL STRUCTURES OF TWO PROTEASE-INHIBITOR COMPLEXES (APO STRUCTURE)''' | {{Structure | ||
|PDB= 1dxp |SIZE=350|CAPTION= <scene name='initialview01'>1dxp</scene>, resolution 2.4Å | |||
|SITE= <scene name='pdbsite=ZN1:Zn+Binding+Site+Chain+A'>ZN1</scene> and <scene name='pdbsite=ZN2:Zn+Binding+Site+Chain+B'>ZN2</scene> | |||
|LIGAND= <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene> and <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene> | |||
|ACTIVITY= | |||
|GENE= HCV ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id= Hepatitis C virus genotype 1a (isolate 1)]) | |||
}} | |||
'''INHIBITION OF THE HEPATITIS C VIRUS NS3/4A PROTEASE. THE CRYSTAL STRUCTURES OF TWO PROTEASE-INHIBITOR COMPLEXES (APO STRUCTURE)''' | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
1DXP is a [ | 1DXP is a [[Protein complex]] structure of sequences from [http://en.wikipedia.org/wiki/Gb_virus_c Gb virus c] and [http://en.wikipedia.org/wiki/Hepatitis_c_virus_genotype_1a_(isolate_1) Hepatitis c virus genotype 1a (isolate 1)]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1DXP OCA]. | ||
==Reference== | ==Reference== | ||
Inhibition of the hepatitis C virus NS3/4A protease. The crystal structures of two protease-inhibitor complexes., Di Marco S, Rizzi M, Volpari C, Walsh MA, Narjes F, Colarusso S, De Francesco R, Matassa VG, Sollazzo M, J Biol Chem. 2000 Mar 10;275(10):7152-7. PMID:[http:// | Inhibition of the hepatitis C virus NS3/4A protease. The crystal structures of two protease-inhibitor complexes., Di Marco S, Rizzi M, Volpari C, Walsh MA, Narjes F, Colarusso S, De Francesco R, Matassa VG, Sollazzo M, J Biol Chem. 2000 Mar 10;275(10):7152-7. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/10702283 10702283] | ||
[[Category: Gb virus c]] | [[Category: Gb virus c]] | ||
[[Category: Hepatitis c virus genotype 1a (isolate 1)]] | [[Category: Hepatitis c virus genotype 1a (isolate 1)]] | ||
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[[Category: serine protease]] | [[Category: serine protease]] | ||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 10:46:10 2008'' | ||
Revision as of 11:46, 20 March 2008
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| , resolution 2.4Å | |||||||
|---|---|---|---|---|---|---|---|
| Sites: | and | ||||||
| Ligands: | and | ||||||
| Gene: | HCV (Hepatitis C virus genotype 1a (isolate 1)) | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
INHIBITION OF THE HEPATITIS C VIRUS NS3/4A PROTEASE. THE CRYSTAL STRUCTURES OF TWO PROTEASE-INHIBITOR COMPLEXES (APO STRUCTURE)
OverviewOverview
The hepatitis C virus NS3 protein contains a serine protease domain with a chymotrypsin-like fold, which is a target for development of therapeutics. We report the crystal structures of this domain complexed with NS4A cofactor and with two potent, reversible covalent inhibitors spanning the P1-P4 residues. Both inhibitors bind in an extended backbone conformation, forming an anti-parallel beta-sheet with one enzyme beta-strand. The P1 residue contributes most to the binding energy, whereas P2-P4 side chains are partially solvent exposed. The structures do not show notable rearrangements of the active site upon inhibitor binding. These results are significant for the development of antivirals.
About this StructureAbout this Structure
1DXP is a Protein complex structure of sequences from Gb virus c and Hepatitis c virus genotype 1a (isolate 1). Full crystallographic information is available from OCA.
ReferenceReference
Inhibition of the hepatitis C virus NS3/4A protease. The crystal structures of two protease-inhibitor complexes., Di Marco S, Rizzi M, Volpari C, Walsh MA, Narjes F, Colarusso S, De Francesco R, Matassa VG, Sollazzo M, J Biol Chem. 2000 Mar 10;275(10):7152-7. PMID:10702283
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