Fluorine in PDB 3b0q: Human Ppar Gamma Ligand Binding Domain in Complex with MCC555

The structure of Human Ppar Gamma Ligand Binding Domain in Complex with MCC555, PDB code: 3b0q was solved by D.Tomioka, H.Hashimoto, M.Sato, T.Shimizu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.83 / 2.10
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	93.252, 59.812, 117.846, 90.00, 103.89, 90.00
R / Rfree (%)	19.8 / 22.9

The binding sites of Fluorine atom in the Human Ppar Gamma Ligand Binding Domain in Complex with MCC555 (pdb code 3b0q). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Human Ppar Gamma Ligand Binding Domain in Complex with MCC555, PDB code: 3b0q:

Fluorine binding site 1 out of 1 in the Human Ppar Gamma Ligand Binding Domain in Complex with MCC555


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human Ppar Gamma Ligand Binding Domain in Complex with MCC555 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1 b:43.3 occ:1.00 F A:MC51 0.0 43.3 1.0 C20 A:MC51 1.3 40.9 1.0 C17 A:MC51 2.4 40.5 1.0 C19 A:MC51 2.4 39.8 1.0 C18 A:MC51 2.8 39.3 1.0 CE A:MET364 3.3 57.3 1.0 CG1 A:VAL339 3.4 30.7 1.0 C15 A:MC51 3.6 40.9 1.0 C21 A:MC51 3.6 39.3 1.0 CD1 A:LEU353 3.7 38.8 1.0 CD2 A:LEU353 4.0 40.6 1.0 C10 A:MC51 4.1 39.6 1.0 O1 A:MC51 4.1 39.6 1.0 CG2 A:ILE341 4.3 37.8 1.0 SD A:MET348 4.4 43.2 1.0 SD A:MET364 4.4 50.6 1.0 SG A:CYS285 4.4 45.0 1.0 C6 A:MC51 4.4 37.9 1.0 CG A:LEU353 4.4 40.4 1.0 CB A:VAL339 4.7 31.0 1.0 C7 A:MC51 4.7 38.6 1.0 CB A:MET348 4.8 36.7 1.0 CG A:MET364 4.8 52.6 1.0

D.Tomioka, H.Hashimoto, M.Sato, T.Shimizu. Crystal Structure of Human Ppar Gamma in Complex with MCC555 To Be Published.