3CIZ: Crystal Structure Of Hepatitis C Virus Rna-Dependent Rna Polymerase Ns5b In Complex With Small Molecule Fragments

Citation:
Abstract
Non-nucleoside inhibitors of HCV NS5b RNA polymerase were discovered by a fragment-based lead discovery approach, beginning with crystallographic fragment screening. The NS5b binding affinity and biochemical activity of fragment hits and inhibitors was determined by surface plasmon resonance (Biacore) and an enzyme inhibition assay, respectively. Crystallographic fragment screening hits with approximately 1-10mM binding affinity (K(D)) were iteratively optimized to give leads with approximately 200nM biochemical activity and low microM cellular activity in a Replicon assay.
PDB ID: 3CIZDownload
MMDB ID: 63856
PDB Deposition Date: 2008/3/12
Updated in MMDB: 2012/11
Experimental Method:
x-ray diffraction
Resolution: 1.87  Å
Source Organism:
Similar Structures:
Biological Unit for 3CIZ: monomeric; determined by author and by software (PQS)
Molecular Components in 3CIZ
Label Count Molecule
Protein (1 molecule)
1
RNA-directed RNA Polymerase
Molecule annotation
Chemical (1 molecule)
1
1
* Click molecule labels to explore molecular sequence information.

Citing MMDB
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