Fluorine in the structure of Crystal Structure of Hiv-1 Reverse Transcriptase in Complex With N1-Heterocycle Pyrimidinedione Non-Nucleoside Inhibitor (pdb 3lak)

The binding sites of Fluorine atom in the structure of Crystal Structure of Hiv-1 Reverse Transcriptase in Complex With N1-Heterocycle Pyrimidinedione Non-Nucleoside Inhibitor (pdb code 3lak). This binding sites where shown with 5.0 Angstroms radius around Fluorine atom. The 3lak structure was solved by E.B.LANSDON, M.L.MITCHELL, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 29.9-2.3 Space group C2221 a (A) 118.025 b (A) 154.603 c (A) 154.478 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 24 Rfree (%) 28.8 Fluorine Binding Sites: Fluorine binding site 1 out of 1 in 3lak Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Fluorine in the PDB 3lak. 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: Val106, A: Pro225, A: Pro226, A: Phe227, A: Leu234, A: His235, A: Pro236, A: Kr1701, A: Hoh673, conact list: Atom Atom Distance (A) F CG2 A:Val106 4.89 F CB A:Pro225 3.20 F C A:Pro225 4.97 F CG A:Pro225 3.74 F CA A:Pro225 4.03 F CA A:Pro226 4.44 F N A:Phe227 4.73 F CE2 A:Phe227 3.70 F CD2 A:Phe227 3.89 F CZ A:Phe227 4.51 F CG A:Phe227 4.81 F O A:Leu234 3.37 F C A:Leu234 4.03 F O A:His235 4.07 F N A:His235 4.19 F CB A:His235 4.94 F C A:His235 3.56 F CA A:His235 3.64 F N A:Pro236 3.62 F CB A:Pro236 4.80 F CD A:Pro236 3.67 F CG A:Pro236 4.03 F CA A:Pro236 4.29 F C18 A:Kr1701 3.72 F N5 A:Kr1701 2.41 F C17 A:Kr1701 4.99 F C20 A:Kr1701 3.69 F F1 A:Kr1701 0.00 F C22 A:Kr1701 2.40 F C19 A:Kr1701 4.23 F C21 A:Kr1701 1.40 F N4 A:Kr1701 4.76 F O A:Hoh673 4.29 interactive model: