Fluorine in PDB 3fql: Hepatitis C Virus Polymerase NS5B (CON1 1-570) with Hcv-796 Inhibitor

All present enzymatic activity of Hepatitis C Virus Polymerase NS5B (CON1 1-570) with Hcv-796 Inhibitor:
2.7.7.48;

The structure of Hepatitis C Virus Polymerase NS5B (CON1 1-570) with Hcv-796 Inhibitor, PDB code: 3fql was solved by S.F.Harris, A.Wong, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	60.044, 60.896, 155.231, 90.00, 90.00, 90.00
R / Rfree (%)	19 / 22.3

The binding sites of Fluorine atom in the Hepatitis C Virus Polymerase NS5B (CON1 1-570) with Hcv-796 Inhibitor (pdb code 3fql). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Hepatitis C Virus Polymerase NS5B (CON1 1-570) with Hcv-796 Inhibitor, PDB code: 3fql:

Fluorine binding site 1 out of 1 in the Hepatitis C Virus Polymerase NS5B (CON1 1-570) with Hcv-796 Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Hepatitis C Virus Polymerase NS5B (CON1 1-570) with Hcv-796 Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F571 b:14.5 occ:1.00 F28 A:79Z571 0.0 14.5 1.0 C7 A:79Z571 1.4 13.7 1.0 C6 A:79Z571 2.4 12.7 1.0 C8 A:79Z571 2.4 13.6 1.0 CG2 A:ILE363 3.1 15.2 1.0 CB A:ILE363 3.3 15.4 1.0 O A:HOH579 3.6 13.0 1.0 C5 A:79Z571 3.6 13.4 1.0 C9 A:79Z571 3.6 13.0 1.0 CD1 A:ILE363 3.9 14.7 1.0 CD1 A:LEU360 4.0 14.1 1.0 O A:ILE363 4.1 15.1 1.0 C4 A:79Z571 4.1 12.9 1.0 CG1 A:ILE363 4.2 16.2 1.0 CG1 A:VAL321 4.2 12.3 1.0 O A:LEU360 4.3 17.0 1.0 C A:ILE363 4.4 15.3 1.0 CA A:ILE363 4.4 15.5 1.0 CG2 A:VAL321 4.5 13.2 1.0 CD1 A:LEU204 4.6 14.2 1.0 CD2 A:LEU204 4.6 14.1 1.0 CB A:VAL321 4.9 12.7 1.0

J.Q.Hang, Y.Yang, S.F.Harris, V.Leveque, H.J.Whittington, S.Rajyaguru, G.Ao-Ieong, M.F.Mccown, A.Wong, A.M.Giannetti, S.Le Pogam, F.Talamas, N.Cammack, I.Najera, K.Klumpp. Slow Binding Inhibition and Mechanism of Resistance of Non-Nucleoside Polymerase Inhibitors of Hepatitis C Virus. J.Biol.Chem. V. 284 15517 2009.
ISSN: ISSN 0021-9258
PubMed: 19246450
DOI: 10.1074/JBC.M808889200