Fluorine in PDB 3o8r: Visualizing Atp-Dependent Rna Translocation By the NS3 Helicase From Hcv

All present enzymatic activity of Visualizing Atp-Dependent Rna Translocation By the NS3 Helicase From Hcv:
3.4.21.98; 3.6.1.15; 3.6.4.13;

The structure of Visualizing Atp-Dependent Rna Translocation By the NS3 Helicase From Hcv, PDB code: 3o8r was solved by T.C.Appleby, J.R.Somoza, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.68 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	91.033, 110.827, 141.979, 90.00, 90.00, 90.00
R / Rfree (%)	21.5 / 26.3

The structure of Visualizing Atp-Dependent Rna Translocation By the NS3 Helicase From Hcv also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Zinc	(Zn)	2 atoms
Bromine	(Br)	1 atom

The binding sites of Fluorine atom in the Visualizing Atp-Dependent Rna Translocation By the NS3 Helicase From Hcv (pdb code 3o8r). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Visualizing Atp-Dependent Rna Translocation By the NS3 Helicase From Hcv, PDB code: 3o8r:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Visualizing Atp-Dependent Rna Translocation By the NS3 Helicase From Hcv


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Visualizing Atp-Dependent Rna Translocation By the NS3 Helicase From Hcv within 5.0Å range: probe atom residue distance (Å) B Occ A:F885 b:34.4 occ:1.00 F1 A:BEF885 0.0 34.4 1.0 BE A:BEF885 1.5 36.1 1.0 MG A:MG850 2.1 37.0 1.0 F3 A:BEF885 2.5 36.2 1.0 F2 A:BEF885 2.5 43.0 1.0 O3B A:ADP875 2.7 36.5 1.0 O A:HOH810 2.9 35.1 1.0 O A:HOH647 3.0 36.6 1.0 OE2 A:GLU291 3.2 35.5 1.0 OE1 A:GLU291 3.2 35.0 1.0 O1B A:ADP875 3.3 30.4 1.0 O A:HOH633 3.3 27.7 1.0 PB A:ADP875 3.4 34.4 1.0 O A:HOH811 3.4 35.7 1.0 CD A:GLU291 3.6 34.9 1.0 CE A:LYS210 4.1 36.0 1.0 OG A:SER211 4.3 36.9 1.0 NZ A:LYS210 4.3 32.8 1.0 O2B A:ADP875 4.3 36.9 1.0 CA A:GLY417 4.3 37.5 1.0 NH2 A:ARG467 4.5 40.6 1.0 NH2 A:ARG464 4.6 31.1 1.0 N A:GLY417 4.6 38.8 1.0 O3A A:ADP875 4.7 37.7 1.0 O2A A:ADP875 4.7 36.4 1.0 NH1 A:ARG464 4.8 39.1 1.0 NH1 A:ARG467 4.9 35.8 1.0 O A:GLY417 4.9 38.1 1.0 OE1 A:GLN460 5.0 37.0 1.0

Fluorine binding site 2 out of 3 in the Visualizing Atp-Dependent Rna Translocation By the NS3 Helicase From Hcv


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Visualizing Atp-Dependent Rna Translocation By the NS3 Helicase From Hcv within 5.0Å range: probe atom residue distance (Å) B Occ A:F885 b:43.0 occ:1.00 F2 A:BEF885 0.0 43.0 1.0 BE A:BEF885 1.6 36.1 1.0 F1 A:BEF885 2.5 34.4 1.0 F3 A:BEF885 2.5 36.2 1.0 O3B A:ADP875 2.6 36.5 1.0 NH2 A:ARG464 2.7 31.1 1.0 NH1 A:ARG467 2.7 35.8 1.0 O A:HOH647 3.1 36.6 1.0 NH1 A:ARG464 3.2 39.1 1.0 CZ A:ARG464 3.3 39.1 1.0 NH2 A:ARG467 3.4 40.6 1.0 CZ A:ARG467 3.5 44.6 1.0 CB A:THR206 3.7 36.1 1.0 N A:GLY207 3.8 34.5 1.0 CA A:THR206 3.8 36.8 1.0 CG2 A:THR206 3.9 35.4 1.0 PB A:ADP875 4.1 34.4 1.0 OE1 A:GLN460 4.2 37.0 1.0 C A:THR206 4.3 37.1 1.0 MG A:MG850 4.3 37.0 1.0 O A:HOH633 4.4 27.7 1.0 O A:HOH811 4.6 35.7 1.0 NE A:ARG464 4.6 37.8 1.0 O A:GLY463 4.7 41.1 1.0 N A:GLY417 4.7 38.8 1.0 NE A:ARG467 4.7 40.6 1.0 CA A:GLY207 4.8 42.7 1.0 O1B A:ADP875 4.8 30.4 1.0 CA A:GLY417 4.8 37.5 1.0 O3A A:ADP875 4.9 37.7 1.0 OG1 A:THR206 4.9 32.2 1.0 O2B A:ADP875 5.0 36.9 1.0

Fluorine binding site 3 out of 3 in the Visualizing Atp-Dependent Rna Translocation By the NS3 Helicase From Hcv


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Visualizing Atp-Dependent Rna Translocation By the NS3 Helicase From Hcv within 5.0Å range: probe atom residue distance (Å) B Occ A:F885 b:36.2 occ:1.00 F3 A:BEF885 0.0 36.2 1.0 BE A:BEF885 1.5 36.1 1.0 F1 A:BEF885 2.5 34.4 1.0 F2 A:BEF885 2.5 43.0 1.0 O3B A:ADP875 2.7 36.5 1.0 NZ A:LYS210 2.8 32.8 1.0 O A:HOH633 2.9 27.7 1.0 CA A:THR206 3.2 36.8 1.0 CE A:LYS210 3.4 36.0 1.0 CB A:ALA323 3.4 25.8 1.0 PB A:ADP875 3.6 34.4 1.0 CG2 A:THR206 3.7 35.4 1.0 CB A:THR206 3.7 36.1 1.0 O2B A:ADP875 3.8 36.9 1.0 N A:GLY207 3.8 34.5 1.0 N A:THR206 3.9 29.9 1.0 O A:HOH647 4.0 36.6 1.0 O A:PRO205 4.0 30.3 1.0 C A:THR206 4.1 37.1 1.0 MG A:MG850 4.2 37.0 1.0 C A:PRO205 4.3 31.2 1.0 O A:HOH810 4.3 35.1 1.0 O1B A:ADP875 4.3 30.4 1.0 N A:ALA323 4.4 26.1 1.0 CA A:ALA323 4.5 25.2 1.0 O A:ALA204 4.6 31.2 1.0 OE1 A:GLU291 4.6 35.0 1.0 NH2 A:ARG464 4.7 31.1 1.0 OE1 A:GLN460 4.7 37.0 1.0 NH1 A:ARG467 4.7 35.8 1.0 CD A:LYS210 4.8 36.6 1.0 NE2 A:GLN460 4.9 23.4 1.0 O3A A:ADP875 5.0 37.7 1.0

T.C.Appleby, R.Anderson, O.Fedorova, A.M.Pyle, R.Wang, X.Liu, K.M.Brendza, J.R.Somoza. Visualizing Atp-Dependent Rna Translocation By the NS3 Helicase From Hcv. J.Mol.Biol. V. 405 1139 2011.
ISSN: ISSN 0022-2836
PubMed: 21145896
DOI: 10.1016/J.JMB.2010.11.034