Fluorine in PDB 6d3e: Pparg Lbd in Complex with SR1988

The structure of Pparg Lbd in Complex with SR1988, PDB code: 6d3e was solved by R.L.Frkic, J.B.Bruning, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.54 / 2.40
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	93.040, 62.510, 118.650, 90.00, 102.32, 90.00
R / Rfree (%)	20.6 / 26.4

The binding sites of Fluorine atom in the Pparg Lbd in Complex with SR1988 (pdb code 6d3e). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Pparg Lbd in Complex with SR1988, PDB code: 6d3e:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Pparg Lbd in Complex with SR1988


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Pparg Lbd in Complex with SR1988 within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:0.6 occ:1.00 F31 A:FT7501 0.0 0.6 1.0 C26 A:FT7501 1.4 0.0 1.0 C27 A:FT7501 2.4 0.4 1.0 C25 A:FT7501 2.4 0.5 1.0 C24 A:FT7501 2.8 0.8 1.0 SG A:CYS285 2.9 78.8 1.0 C15 A:FT7501 3.6 0.6 1.0 C30 A:FT7501 3.6 0.0 1.0 C28 A:FT7501 3.6 0.7 1.0 N19 A:FT7501 3.8 0.2 1.0 C16 A:FT7501 4.1 0.3 1.0 C29 A:FT7501 4.1 0.0 1.0 CB A:CYS285 4.4 68.2 1.0 CG2 A:ILE281 4.5 42.5 1.0 CG2 A:ILE341 4.6 49.7 1.0 CD2 A:LEU353 4.7 48.4 1.0 C14 A:FT7501 4.7 0.3 1.0 F32 A:FT7501 4.8 0.1 1.0 CA A:CYS285 4.8 61.9 1.0 CE A:MET364 4.9 54.5 1.0 O A:ILE281 4.9 48.6 1.0 CD1 A:LEU353 5.0 48.9 1.0

Fluorine binding site 2 out of 2 in the Pparg Lbd in Complex with SR1988


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Pparg Lbd in Complex with SR1988 within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:0.1 occ:1.00 F32 A:FT7501 0.0 0.1 1.0 C28 A:FT7501 1.4 0.7 1.0 C29 A:FT7501 2.4 0.0 1.0 C27 A:FT7501 2.4 0.4 1.0 O A:HOH675 3.2 60.0 1.0 C30 A:FT7501 3.6 0.0 1.0 C26 A:FT7501 3.7 0.0 1.0 C A:GLY284 3.9 59.1 1.0 O A:GLY284 4.0 56.8 1.0 CA A:GLY284 4.0 58.3 1.0 C25 A:FT7501 4.1 0.5 1.0 N A:CYS285 4.5 62.9 1.0 F31 A:FT7501 4.8 0.6 1.0 CB A:ILE341 4.8 46.3 1.0 O A:ILE281 4.9 48.6 1.0

R.L.Frkic, B.S.Chua, Y.Shin, B.D.Pascal, S.J.Novick, T.M.Kamenecka, P.R.Griffin, J.B.Bruning. Structural and Dynamic Elucidation of A Non-Acid Ppargammapartial Agonist: SR1988. Nucl Receptor Res V. 5 2018.
ISSN: ISSN 2314-5706
PubMed: 30906767
DOI: 10.11131/2018/101350