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

Enzymatic activity of 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;

Protein crystallography data

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

Fluorine Binding Sites:

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 2giq

Go back to Fluorine Binding Sites List in 2giq
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 2giq

Go back to Fluorine Binding Sites List in 2giq
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

Reference:

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
Page generated: Wed Oct 28 14:45:04 2020

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