Fluorine in the structure of Crystal Structure of Human Ppar-Gamma-Ligand Binding Domain Complexed With An Indole-Based Modulator (pdb 2p4y)

The binding sites of Fluorine atom in the structure of Crystal Structure of Human Ppar-Gamma-Ligand Binding Domain Complexed With An Indole-Based Modulator (pdb code 2p4y). This binding sites where shown with 5.0 Angstroms radius around Fluorine atom. The 2p4y structure was solved by B.M.MCKEEVER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 40.3-2.2 Space group C121 a (A) 92.148 b (A) 59.859 c (A) 118.287 alpha (°) 90.00 beta (°) 103.76 gamma (°) 90.00 Rfactor (%) n/a Rfree (%) n/a Fluorine Binding Sites: Fluorine binding site 1 out of 6 in 2p4y Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Fluorine in the PDB 2p4y. 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: Cys285, A: Ser289, A: Tyr327, A: Phe363, A: Met364, A: Lys367, A: His449, A: C03478, A: Trs479, conact list: Atom Atom Distance (A) F CB A:Cys285 4.57 F OG A:Ser289 4.38 F CE2 A:Tyr327 4.52 F OH A:Tyr327 4.66 F CE2 A:Phe363 4.64 F CD1 A:Phe363 4.62 F CZ A:Phe363 3.43 F CE1 A:Phe363 3.42 F SD A:Met364 4.66 F CE A:Lys367 4.22 F NZ A:Lys367 4.71 F NE2 A:His449 4.04 F ND1 A:His449 4.14 F CD2 A:His449 4.99 F CE1 A:His449 3.45 F O19 A:C03478 2.18 F C1 A:C03478 4.42 F F21 A:C03478 0.00 F C6 A:C03478 3.50 F C5 A:C03478 4.36 F C20 A:C03478 1.32 F F22 A:C03478 2.18 F F23 A:C03478 2.16 F N A:Trs479 4.44 F C1 A:Trs479 4.90 F O1 A:Trs479 4.81 F C3 A:Trs479 3.34 F C A:Trs479 4.42 F O3 A:Trs479 3.22 interactive model: Fluorine binding site 2 out of 6 in 2p4y Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Fluorine in the PDB 2p4y. 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: Tyr327, A: Leu330, A: Phe363, A: Met364, A: Lys367, A: C03478, conact list: Atom Atom Distance (A) F CE2 A:Tyr327 4.06 F CD2 A:Tyr327 4.57 F CD2 A:Leu330 3.68 F CZ A:Phe363 4.44 F CE1 A:Phe363 4.69 F CE A:Met364 4.23 F SD A:Met364 3.50 F CE A:Lys367 3.75 F CD A:Lys367 4.58 F CG A:Lys367 4.28 F NZ A:Lys367 4.86 F O19 A:C03478 2.25 F C1 A:C03478 3.87 F F21 A:C03478 2.18 F C2 A:C03478 4.88 F C6 A:C03478 2.87 F C5 A:C03478 3.29 F C4 A:C03478 4.48 F C20 A:C03478 1.35 F F22 A:C03478 0.00 F F23 A:C03478 2.20 interactive model: Fluorine binding site 3 out of 6 in 2p4y Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Fluorine in the PDB 2p4y. 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: Ser289, A: Ile326, A: Tyr327, A: Leu330, A: Lys367, A: His449, A: C03478, A: Trs479, conact list: Atom Atom Distance (A) F CB A:Ser289 4.85 F OG A:Ser289 3.57 F CG2 A:Ile326 3.89 F CE2 A:Tyr327 3.31 F CD2 A:Tyr327 4.13 F CZ A:Tyr327 4.17 F OH A:Tyr327 4.11 F CD2 A:Leu330 4.81 F CE A:Lys367 4.77 F CE1 A:His449 4.85 F O19 A:C03478 2.24 F C1 A:C03478 3.20 F F21 A:C03478 2.16 F C2 A:C03478 4.45 F C6 A:C03478 2.91 F C5 A:C03478 4.11 F C20 A:C03478 1.33 F F22 A:C03478 2.20 F F23 A:C03478 0.00 F O1 A:Trs479 4.62 F C3 A:Trs479 4.27 F O3 A:Trs479 4.73 interactive model: Fluorine binding site 4 out of 6 in 2p4y Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Fluorine in the PDB 2p4y. 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: Cys285, B: Ser289, B: Tyr327, B: Phe363, B: Met364, B: Lys367, B: His449, B: C03478, B: Hoh509, conact list: Atom Atom Distance (A) F CB B:Cys285 4.68 F OG B:Ser289 4.13 F CE2 B:Tyr327 4.60 F OH B:Tyr327 4.70 F CE2 B:Phe363 4.67 F CZ B:Phe363 3.76 F CE1 B:Phe363 4.18 F CE B:Met364 4.53 F CE B:Lys367 4.86 F NE2 B:His449 4.07 F ND1 B:His449 4.21 F CE1 B:His449 3.49 F O19 B:C03478 2.17 F C1 B:C03478 4.38 F F21 B:C03478 0.00 F C6 B:C03478 3.48 F C5 B:C03478 4.38 F C20 B:C03478 1.30 F F22 B:C03478 2.12 F F23 B:C03478 2.14 F O B:Hoh509 3.92 interactive model: Fluorine binding site 5 out of 6 in 2p4y Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Fluorine in the PDB 2p4y. 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: Cys285, B: Tyr327, B: Leu330, B: Phe363, B: Met364, B: Lys367, B: His449, B: C03478, conact list: Atom Atom Distance (A) F CB B:Cys285 4.89 F CE2 B:Tyr327 4.35 F CD2 B:Tyr327 4.95 F CD2 B:Leu330 4.24 F CE2 B:Phe363 4.49 F CZ B:Phe363 4.17 F CE1 B:Phe363 4.82 F CE B:Met364 2.90 F SD B:Met364 3.87 F CE B:Lys367 4.06 F CD B:Lys367 4.90 F CG B:Lys367 4.85 F NZ B:Lys367 4.95 F CE1 B:His449 4.92 F O19 B:C03478 2.23 F C1 B:C03478 4.12 F F21 B:C03478 2.12 F C6 B:C03478 2.96 F C5 B:C03478 3.25 F C4 B:C03478 4.51 F C20 B:C03478 1.31 F F22 B:C03478 0.00 F F23 B:C03478 2.16 interactive model: Fluorine binding site 6 out of 6 in 2p4y Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 6 of Fluorine in the PDB 2p4y. 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: Ser289, B: Ile326, B: Tyr327, B: Leu330, B: Met364, B: C03478, conact list: Atom Atom Distance (A) F OG B:Ser289 3.83 F CG2 B:Ile326 3.77 F CE2 B:Tyr327 3.31 F CD2 B:Tyr327 4.04 F CZ B:Tyr327 4.28 F OH B:Tyr327 4.32 F CD2 B:Leu330 4.71 F CE B:Met364 4.97 F O19 B:C03478 2.24 F C1 B:C03478 3.23 F F21 B:C03478 2.14 F C2 B:C03478 4.41 F C6 B:C03478 2.82 F C5 B:C03478 3.87 F C4 B:C03478 4.93 F C20 B:C03478 1.32 F F22 B:C03478 2.16 F F23 B:C03478 0.00 interactive model: