Fluorine in the structure of Novel Bacterial Methionine Aminopeptidase Inhibitors (pdb 2gg3)

The binding sites of Fluorine atom in the structure of Novel Bacterial Methionine Aminopeptidase Inhibitors (pdb code 2gg3). This binding sites where shown with 5.0 Angstroms radius around Fluorine atom. The 2gg3 structure was solved by A.G.EVDOKIMOV, M.E.POKROSS, R.L.WALTER, M.MEKEL, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 24.9-1.4 Space group P1211 a (A) 39.045 b (A) 62.744 c (A) 52.667 alpha (°) 90.00 beta (°) 108.85 gamma (°) 90.00 Rfactor (%) 12.4 Rfree (%) 16.1 Fluorine Binding Sites: Fluorine binding site 1 out of 1 in 2gg3 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Fluorine in the PDB 2gg3. 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: Tyr62, A: His63, A: Trp221, A: U13501, A: Hoh598, conact list: Atom Atom Distance (A) F O A:Tyr62 4.15 F CE2 A:Tyr62 4.11 F CD2 A:Tyr62 4.19 F C A:Tyr62 4.84 F NE2 A:His63 4.64 F CB A:His63 3.37 F ND1 A:His63 4.93 F CD2 A:His63 3.40 F CG A:His63 3.65 F CA A:His63 4.69 F CE3 A:Trp221 4.34 F CZ3 A:Trp221 3.10 F CZ2 A:Trp221 4.79 F CH2 A:Trp221 3.43 F C1 A:U13501 2.36 F F7 A:U13501 0.00 F C2 A:U13501 3.66 F C6 A:U13501 2.39 F C5 A:U13501 4.13 F C4 A:U13501 3.63 F C3 A:U13501 1.35 F O A:Hoh598 4.92 interactive model: