2hai
From Proteopedia
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|PDB= 2hai |SIZE=350|CAPTION= <scene name='initialview01'>2hai</scene>, resolution 1.58Å | |PDB= 2hai |SIZE=350|CAPTION= <scene name='initialview01'>2hai</scene>, resolution 1.58Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= <scene name='pdbligand=PFI:(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-5,6-DIHYDRO-2H-PYRAN-2-ONE'>PFI</scene> | + | |LIGAND= <scene name='pdbligand=CME:S,S-(2-HYDROXYETHYL)THIOCYSTEINE'>CME</scene>, <scene name='pdbligand=CSD:3-SULFINOALANINE'>CSD</scene>, <scene name='pdbligand=PFI:(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-5,6-DIHYDRO-2H-PYRAN-2-ONE'>PFI</scene> |
| - | |ACTIVITY= [http://en.wikipedia.org/wiki/RNA-directed_RNA_polymerase RNA-directed RNA polymerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.7.48 2.7.7.48] | + | |ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/RNA-directed_RNA_polymerase RNA-directed RNA polymerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.7.48 2.7.7.48] </span> |
|GENE= NS5B ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=11103 Hepatitis C virus]) | |GENE= NS5B ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=11103 Hepatitis C virus]) | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY=[[1os5|1OS5]] | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2hai FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2hai OCA], [http://www.ebi.ac.uk/pdbsum/2hai PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2hai RCSB]</span> | ||
}} | }} | ||
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[[Category: Li, H.]] | [[Category: Li, H.]] | ||
[[Category: Love, R L.]] | [[Category: Love, R L.]] | ||
| - | [[Category: PFI]] | ||
[[Category: hcv rna polymerase]] | [[Category: hcv rna polymerase]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 03:27:43 2008'' |
Revision as of 00:27, 31 March 2008
| |||||||
| , resolution 1.58Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | , , | ||||||
| Gene: | NS5B (Hepatitis C virus) | ||||||
| Activity: | RNA-directed RNA polymerase, with EC number 2.7.7.48 | ||||||
| Related: | 1OS5
| ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
Crystal structure of HCV NS5B RNA polymerase in complex with novel class of dihydropyrone-containing inhibitor.
Overview
A novel class of non-nucleoside HCV NS5B polymerase inhibitors has been identified from screening. A co-crystal structure revealed an allosteric binding site in the protein that required a unique conformational change to accommodate inhibitor binding. Herein we report the structure-activity relationships (SARs) of this novel class of dihydropyrone-containing compounds that show potent inhibitory activities against the HCV RNA polymerase in biochemical assays.
About this Structure
2HAI is a Single protein structure of sequence from Hepatitis c virus. Full crystallographic information is available from OCA.
Reference
Identification and structure-based optimization of novel dihydropyrones as potent HCV RNA polymerase inhibitors., Li H, Tatlock J, Linton A, Gonzalez J, Borchardt A, Dragovich P, Jewell T, Prins T, Zhou R, Blazel J, Parge H, Love R, Hickey M, Doan C, Shi S, Duggal R, Lewis C, Fuhrman S, Bioorg Med Chem Lett. 2006 Sep 15;16(18):4834-8. Epub 2006 Jul 7. PMID:16824756
Page seeded by OCA on Mon Mar 31 03:27:43 2008
