The binding sites of Fluorine atom in the structure of Hepatitis C Virus Rna-Dependent Rna Polymerase NS5B With Nni-2 Inhibitor (pdb code 2giq). This binding sites where shown with 5.0 Angstroms radius around Fluorine atom.
The 2giq structure was solved by S.F.HARRIS, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
| Resolution (A) | 50.0-1.6 | | Space group | P212121 | | a (A) | 85.872 | | b (A) | 105.416 | | c (A) | 126.104 | | alpha (°) | 90.00 | | beta (°) | 90.00 | | gamma (°) | 90.00 | | Rfactor (%) | 20.4 | | Rfree (%) | 22.8 |
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Fluorine binding site 1 out of 2 in 2giq
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Click to enlarge | 
Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Fluorine in the PDB 2giq. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Fluorine atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: Ser407, A: Gly410, A: Asn411, A: Met414, A: Gln446, A: Ile447, A: Nn21001, A: Hoh1018, A: Hoh1059, | conact list:
| Atom | Atom | Distance (A) | | F | O A:Ser407 | 4.75 | | F | O A:Gly410 | 3.06 | | F | N A:Gly410 | 4.45 | | F | C A:Gly410 | 2.90 | | F | CA A:Gly410 | 3.15 | | F | N A:Asn411 | 3.41 | | F | CB A:Asn411 | 4.90 | | F | OD1 A:Asn411 | 3.97 | | F | CG A:Asn411 | 4.53 | | F | CA A:Asn411 | 4.05 | | F | CB A:Met414 | 4.43 | | F | CG A:Met414 | 3.88 | | F | O A:Gln446 | 3.88 | | F | CG1 A:Ile447 | 4.66 | | F | C18 A:Nn21001 | 4.14 | | F | F21 A:Nn21001 | 0.00 | | F | C16 A:Nn21001 | 2.36 | | F | C20 A:Nn21001 | 2.34 | | F | C17 A:Nn21001 | 3.63 | | F | C22 A:Nn21001 | 4.79 | | F | C19 A:Nn21001 | 3.61 | | F | O23 A:Nn21001 | 4.94 | | F | C15 A:Nn21001 | 1.34 | | F | O A:Hoh1018 | 4.25 | | F | O A:Hoh1059 | 4.99 |
| interactive model:
| Fluorine binding site 2 out of 2 in 2giq
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Click to enlarge | 
Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Fluorine in the PDB 2giq. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Fluorine atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: B: Ser407, B: Gly410, B: Asn411, B: Met414, B: Gln446, B: Ile447, B: Nn22001, B: Hoh2027, | conact list:
| Atom | Atom | Distance (A) | | F | O B:Ser407 | 4.72 | | F | O B:Gly410 | 3.06 | | F | N B:Gly410 | 4.44 | | F | C B:Gly410 | 2.90 | | F | CA B:Gly410 | 3.14 | | F | N B:Asn411 | 3.41 | | F | CB B:Asn411 | 4.93 | | F | OD1 B:Asn411 | 4.02 | | F | CG B:Asn411 | 4.55 | | F | CA B:Asn411 | 4.07 | | F | CB B:Met414 | 4.40 | | F | CG B:Met414 | 3.85 | | F | O B:Gln446 | 3.86 | | F | CG1 B:Ile447 | 4.86 | | F | C18 B:Nn22001 | 4.17 | | F | F21 B:Nn22001 | 0.00 | | F | C16 B:Nn22001 | 2.38 | | F | C20 B:Nn22001 | 2.36 | | F | C17 B:Nn22001 | 3.65 | | F | C22 B:Nn22001 | 4.81 | | F | C19 B:Nn22001 | 3.63 | | F | O23 B:Nn22001 | 4.95 | | F | C15 B:Nn22001 | 1.35 | | F | O B:Hoh2027 | 4.29 |
| interactive model:
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