Fluorine in PDB 2d3z: X-Ray Crystal Structure of Hepatitis C Virus Rna-Dependent Rna Polymerase in Complex with Non-Nucleoside Analogue Inhibitor

All present enzymatic activity of X-Ray Crystal Structure of Hepatitis C Virus Rna-Dependent Rna Polymerase in Complex with Non-Nucleoside Analogue Inhibitor:
2.7.7.48;

The structure of X-Ray Crystal Structure of Hepatitis C Virus Rna-Dependent Rna Polymerase in Complex with Non-Nucleoside Analogue Inhibitor, PDB code: 2d3z was solved by B.K.Biswal, M.Wang, M.M.Cherney, L.Chan, C.G.Yannopoulos, D.Bilimoria, J.Bedard, M.N.G.James, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.11 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	84.755, 106.127, 127.444, 90.00, 90.00, 90.00
R / Rfree (%)	19.9 / 23.2

The binding sites of Fluorine atom in the X-Ray Crystal Structure of Hepatitis C Virus Rna-Dependent Rna Polymerase in Complex with Non-Nucleoside Analogue Inhibitor (pdb code 2d3z). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the X-Ray Crystal Structure of Hepatitis C Virus Rna-Dependent Rna Polymerase in Complex with Non-Nucleoside Analogue Inhibitor, PDB code: 2d3z:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the X-Ray Crystal Structure of Hepatitis C Virus Rna-Dependent Rna Polymerase in Complex with Non-Nucleoside Analogue Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of X-Ray Crystal Structure of Hepatitis C Virus Rna-Dependent Rna Polymerase in Complex with Non-Nucleoside Analogue Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F2001 b:23.9 occ:1.00 F12 A:FIH2001 0.0 23.9 1.0 C2 A:FIH2001 1.3 23.1 1.0 C3 A:FIH2001 2.4 23.8 1.0 C1 A:FIH2001 2.4 22.6 1.0 CD1 A:LEU489 3.1 22.7 1.0 O A:HOH2139 3.6 24.5 1.0 CA A:ALA486 3.6 16.5 1.0 C4 A:FIH2001 3.7 22.6 1.0 C6 A:FIH2001 3.7 21.1 1.0 N A:ALA486 3.9 16.0 1.0 CG A:LEU489 4.0 20.3 1.0 CB A:ALA486 4.0 15.7 1.0 CG1 A:VAL485 4.0 16.5 1.0 O A:HOH2253 4.1 31.3 1.0 C5 A:FIH2001 4.2 22.3 1.0 O A:HOH2234 4.3 26.5 1.0 C A:VAL485 4.3 14.9 1.0 O A:HOH2562 4.3 50.5 1.0 O A:VAL485 4.4 13.8 1.0 CB A:VAL485 4.6 15.5 1.0 CE A:MET423 4.7 15.6 1.0 CB A:LEU489 4.8 18.0 1.0 C A:ALA486 4.9 17.1 1.0

Fluorine binding site 2 out of 2 in the X-Ray Crystal Structure of Hepatitis C Virus Rna-Dependent Rna Polymerase in Complex with Non-Nucleoside Analogue Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of X-Ray Crystal Structure of Hepatitis C Virus Rna-Dependent Rna Polymerase in Complex with Non-Nucleoside Analogue Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:F3001 b:26.9 occ:1.00 F12 B:FIH3001 0.0 26.9 1.0 C2 B:FIH3001 1.3 24.9 1.0 C3 B:FIH3001 2.4 25.2 1.0 C1 B:FIH3001 2.4 25.4 1.0 CD1 B:LEU489 3.1 21.1 1.0 CA B:ALA486 3.6 17.1 1.0 O B:HOH3153 3.6 24.2 1.0 C4 B:FIH3001 3.7 23.4 1.0 C6 B:FIH3001 3.7 22.6 1.0 N B:ALA486 3.8 17.1 1.0 CB B:ALA486 3.9 16.4 1.0 O B:HOH3617 3.9 50.2 1.0 CG1 B:VAL485 3.9 18.6 1.0 O B:HOH3397 3.9 37.8 1.0 CG B:LEU489 4.1 19.4 1.0 C5 B:FIH3001 4.2 22.5 1.0 C B:VAL485 4.3 15.4 1.0 O B:VAL485 4.5 15.6 1.0 O B:HOH3456 4.7 37.2 1.0 CB B:VAL485 4.7 16.7 1.0 CE B:MET423 4.7 18.4 1.0 CB B:LEU489 4.9 17.5 1.0 C B:ALA486 4.9 16.6 1.0 O B:ILE482 5.0 15.4 1.0

B.K.Biswal, M.Wang, M.M.Cherney, L.Chan, C.G.Yannopoulos, D.Bilimoria, J.Bedard, M.N.G.James. Non-Nucleoside Inhibitors Binding to Hepatitis C Virus NS5B Polymerase Reveal A Novel Mechanism of Inhibition J.Mol.Biol. V. 361 33 2006.
ISSN: ISSN 0022-2836
PubMed: 16828488
DOI: 10.1016/J.JMB.2006.05.074