1os5

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{{STRUCTURE_1os5| PDB=1os5 | SCENE= }}
{{STRUCTURE_1os5| PDB=1os5 | SCENE= }}
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'''Crystal structure of HCV NS5B RNA polymerase complexed with a novel non-competitive inhibitor.'''
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===Crystal structure of HCV NS5B RNA polymerase complexed with a novel non-competitive inhibitor.===
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==Overview==
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The virus-encoded nonstructural protein 5B (NS5B) of hepatitis C virus (HCV) is an RNA-dependent RNA polymerase and is absolutely required for replication of the virus. NS5B exhibits significant differences from cellular polymerases and therefore has become an attractive target for anti-HCV therapy. Using a high-throughput screen, we discovered a novel NS5B inhibitor that binds to the enzyme noncompetitively with respect to nucleotide substrates. Here we report the crystal structure of NS5B complexed with this small molecule inhibitor. Unexpectedly, the inhibitor is bound within a narrow cleft on the protein's surface in the "thumb" domain, about 30 A from the enzyme's catalytic center. The interaction between this inhibitor and NS5B occurs without dramatic changes to the structure of the protein, and sequence analysis suggests that the binding site is conserved across known HCV genotypes. Possible mechanisms of inhibition include perturbation of protein dynamics, interference with RNA binding, and disruption of enzyme oligomerization.
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The line below this paragraph, {{ABSTRACT_PUBMED_12805457}}, adds the Publication Abstract to the page
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(as it appears on PubMed at http://www.pubmed.gov), where 12805457 is the PubMed ID number.
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{{ABSTRACT_PUBMED_12805457}}
==About this Structure==
==About this Structure==
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[[Category: Yu, X.]]
[[Category: Yu, X.]]
[[Category: Enzyme-inhibitor complex]]
[[Category: Enzyme-inhibitor complex]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 04:13:03 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jul 28 14:23:29 2008''

Revision as of 11:23, 28 July 2008

Image:1os5.png

Template:STRUCTURE 1os5

Crystal structure of HCV NS5B RNA polymerase complexed with a novel non-competitive inhibitor.

Template:ABSTRACT PUBMED 12805457

About this Structure

1OS5 is a Single protein structure of sequence from Hepatitis c virus subtype 1b. Full crystallographic information is available from OCA.

Reference

Crystallographic identification of a noncompetitive inhibitor binding site on the hepatitis C virus NS5B RNA polymerase enzyme., Love RA, Parge HE, Yu X, Hickey MJ, Diehl W, Gao J, Wriggers H, Ekker A, Wang L, Thomson JA, Dragovich PS, Fuhrman SA, J Virol. 2003 Jul;77(13):7575-81. PMID:12805457

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