Fluorine in PDB 2giq: Hepatitis C Virus Rna-Dependent Rna Polymerase NS5B with Nni-2 Inhibitor

All present enzymatic activity of Hepatitis C Virus Rna-Dependent Rna Polymerase NS5B with Nni-2 Inhibitor:
2.7.7.48;

The structure of Hepatitis C Virus Rna-Dependent Rna Polymerase NS5B with Nni-2 Inhibitor, PDB code: 2giq was solved by S.F.Harris, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.65
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	85.872, 105.416, 126.104, 90.00, 90.00, 90.00
R / Rfree (%)	20.4 / 22.8

The binding sites of Fluorine atom in the Hepatitis C Virus Rna-Dependent Rna Polymerase NS5B with Nni-2 Inhibitor (pdb code 2giq). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Hepatitis C Virus Rna-Dependent Rna Polymerase NS5B with Nni-2 Inhibitor, PDB code: 2giq:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Hepatitis C Virus Rna-Dependent Rna Polymerase NS5B with Nni-2 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 Rna-Dependent Rna Polymerase NS5B with Nni-2 Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F1001 b:26.9 occ:1.00 F21 A:NN21001 0.0 26.9 1.0 C15 A:NN21001 1.3 26.8 1.0 C20 A:NN21001 2.3 26.5 1.0 C16 A:NN21001 2.4 26.6 1.0 C A:GLY410 2.9 20.7 1.0 O A:GLY410 3.1 20.7 1.0 CA A:GLY410 3.2 20.6 1.0 N A:ASN411 3.4 20.7 1.0 C19 A:NN21001 3.6 26.2 1.0 C17 A:NN21001 3.6 26.6 1.0 O A:GLN446 3.9 27.1 1.0 CG A:MET414 3.9 21.9 1.0 OD1 A:ASN411 4.0 23.2 1.0 CA A:ASN411 4.1 20.7 1.0 C18 A:NN21001 4.1 26.4 1.0 O A:HOH1018 4.2 26.5 1.0 CB A:MET414 4.4 20.7 1.0 N A:GLY410 4.5 20.4 1.0 CG A:ASN411 4.5 20.5 1.0 CG1 A:ILE447 4.7 26.3 1.0 O A:SER407 4.7 21.9 1.0 C22 A:NN21001 4.8 26.8 1.0 CB A:ASN411 4.9 20.9 1.0 O23 A:NN21001 4.9 27.5 1.0 O A:HOH1059 5.0 24.2 1.0

Fluorine binding site 2 out of 2 in the Hepatitis C Virus Rna-Dependent Rna Polymerase NS5B with Nni-2 Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Hepatitis C Virus Rna-Dependent Rna Polymerase NS5B with Nni-2 Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:F2001 b:26.0 occ:1.00 F21 B:NN22001 0.0 26.0 1.0 C15 B:NN22001 1.3 25.9 1.0 C20 B:NN22001 2.4 25.2 1.0 C16 B:NN22001 2.4 25.8 1.0 C B:GLY410 2.9 20.5 1.0 O B:GLY410 3.1 20.2 1.0 CA B:GLY410 3.1 20.2 1.0 N B:ASN411 3.4 20.3 1.0 C19 B:NN22001 3.6 24.7 1.0 C17 B:NN22001 3.7 25.1 1.0 CG B:MET414 3.9 21.8 1.0 O B:GLN446 3.9 25.9 1.0 OD1 B:ASN411 4.0 22.7 1.0 CA B:ASN411 4.1 20.5 1.0 C18 B:NN22001 4.2 25.5 1.0 O B:HOH2027 4.3 25.6 1.0 CB B:MET414 4.4 20.4 1.0 N B:GLY410 4.4 20.5 1.0 CG B:ASN411 4.5 20.7 1.0 O B:SER407 4.7 22.3 1.0 C22 B:NN22001 4.8 25.3 1.0 CG1 B:ILE447 4.9 25.8 1.0 CB B:ASN411 4.9 20.8 1.0 O23 B:NN22001 4.9 26.6 1.0

S.Le Pogam, H.Kang, S.F.Harris, V.Leveque, A.M.Giannetti, S.Ali, W.R.Jiang, S.Rajyaguru, G.Tavares, C.Oshiro, T.Hendricks, K.Klumpp, J.Symons, M.F.Browner, N.Cammack, I.Najera. Selection and Characterization of Replicon Variants Dually Resistant to Thumb- and Palm-Binding Nonnucleoside Polymerase Inhibitors of the Hepatitis C Virus. J.Virol. V. 80 6146 2006.
ISSN: ISSN 0022-538X
PubMed: 16731953
DOI: 10.1128/JVI.02628-05