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NDB ID: 5UJ2    PDB ID: 5UJ2 


Title:

CRYSTAL STRUCTURE OF HCV NS5B GENOTYPE 2A JFH-1 ISOLATE WITH S15G E86Q E87Q C223H V321I MUTATIONS AND DELTA8 NETA HAIRPOIN LOOP DELETION IN COMPLEX WITH GS-639476 (DIPHSOHATE VERSION OF GS-9813), MN2+ AND SYMMETRICAL PRIMER TEMPLATE 5'-AUAAAUUU

Molecular Description:

Genome polyprotein/RNA Complex

Structural Keywords:

A DOUBLE HELIX

Nucleic Acid Sequence:

Click to show/hide 1 nucleic acid sequences

Protein Sequence:

Click to show/hide 1 protein sequences

Primary Citation:

Kirschberg, T.A., Metobo, S., Clarke, M.O., Aktoudianakis, V., Babusis, D., Barauskas, O., Birkus, G., Butler, T., Byun, D., Chin, G., Doerffler, E., Edwards, T.E., Fenaux, M., Lee, R., Lew, W., Mish, M.R., Murakami, E., Park, Y., Squires, N.H., Tirunagari, N., Wang, T., Whitcomb, M., Xu, J., Yang, H., Ye, H., Zhang, L., Appleby, T.C., Feng, J.Y., Ray, A.S., Cho, A., Kim, C.U.
Discovery of a 2'-fluoro-2'-C-methyl C-nucleotide HCV polymerase inhibitor and a phosphoramidate prodrug with favorable properties. 
Bioorg. Med. Chem. Lett., 27, pp. 1840 - 1847, 2017.

Experimental Information:

X-RAY DIFFRACTION

Space Group:

P 65

Cell Constants:

a = 141.76   b = 141.76   c = 91.11 (Ångstroms)

α = 90.0   β = 90.0   γ = 120.0 (degrees)

Refinement:

The structure was refined using the REFMAC program. The R value is 0.186 for 23025 reflections in the resolution range 50.0 to 2.9 Ångstroms with Fobs >  0.0 sigma(Fobs) and with I >  0.0 sigma(I)