Fluorine in PDB 5z12: A Structure of Fxr/Rxr

The structure of A Structure of Fxr/Rxr, PDB code: 5z12 was solved by Y.Lu, Y.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.75
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	89.873, 95.484, 116.721, 90.00, 90.00, 90.00
R / Rfree (%)	23 / 29

The binding sites of Fluorine atom in the A Structure of Fxr/Rxr (pdb code 5z12). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the A Structure of Fxr/Rxr, PDB code: 5z12:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the A Structure of Fxr/Rxr


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of A Structure of Fxr/Rxr within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:26.3 occ:1.00 F32 A:33Y501 0.0 26.3 1.0 C24 A:33Y501 1.3 22.7 1.0 C23 A:33Y501 2.3 22.1 1.0 C25 A:33Y501 2.4 21.5 1.0 F26 A:33Y501 2.6 23.1 1.0 CD1 A:ILE287 3.1 42.5 1.0 CG2 A:ILE283 3.2 29.1 1.0 C22 A:33Y501 3.6 21.6 1.0 C20 A:33Y501 3.6 21.1 1.0 CE A:MET304 3.7 32.1 1.0 SD A:MET304 3.8 33.3 1.0 C21 A:33Y501 4.0 21.8 1.0 CG1 A:ILE287 4.3 42.1 1.0 O A:ILE283 4.4 34.1 1.0 C A:ILE283 4.6 34.7 1.0 CD1 A:LEU362 4.6 32.9 1.0 CB A:ILE283 4.6 30.2 1.0 O17 A:33Y501 4.7 23.3 1.0 CB A:ILE287 4.7 41.3 1.0 N A:THR284 4.9 37.1 1.0 C18 A:33Y501 4.9 20.0 1.0

Fluorine binding site 2 out of 4 in the A Structure of Fxr/Rxr


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of A Structure of Fxr/Rxr within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:23.1 occ:1.00 F26 A:33Y501 0.0 23.1 1.0 C23 A:33Y501 1.3 22.1 1.0 C24 A:33Y501 2.3 22.7 1.0 C22 A:33Y501 2.4 21.6 1.0 F32 A:33Y501 2.6 26.3 1.0 CG2 A:ILE349 3.3 20.8 1.0 CD2 A:LEU362 3.5 33.1 1.0 C25 A:33Y501 3.6 21.5 1.0 C21 A:33Y501 3.6 21.8 1.0 CD1 A:LEU362 3.9 32.9 1.0 CG2 A:ILE283 3.9 29.1 1.0 C20 A:33Y501 4.1 21.1 1.0 CG A:LEU362 4.2 33.6 1.0 OG1 A:THR284 4.2 42.2 1.0 CB A:ILE349 4.2 20.9 1.0 CA A:THR284 4.4 39.3 1.0 N A:THR284 4.5 37.1 1.0 N A:PHE350 4.7 22.1 1.0 C A:ILE349 4.9 20.7 1.0 C A:ILE283 4.9 34.7 1.0 CB A:ILE283 5.0 30.2 1.0 CA A:PHE350 5.0 24.8 1.0 CB A:THR284 5.0 41.6 1.0

Fluorine binding site 3 out of 4 in the A Structure of Fxr/Rxr


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of A Structure of Fxr/Rxr within 5.0Å range: probe atom residue distance (Å) B Occ D:F501 b:37.9 occ:1.00 F32 D:33Y501 0.0 37.9 1.0 C24 D:33Y501 1.3 34.9 1.0 C23 D:33Y501 2.3 33.9 1.0 C25 D:33Y501 2.4 33.2 1.0 F26 D:33Y501 2.6 40.2 1.0 CD1 D:ILE287 3.1 60.5 1.0 CG2 D:ILE283 3.3 31.6 1.0 C22 D:33Y501 3.6 32.3 1.0 C20 D:33Y501 3.6 34.9 1.0 CE D:MET304 4.0 31.8 1.0 C21 D:33Y501 4.1 35.0 1.0 CG1 D:ILE287 4.1 59.0 1.0 SD D:MET304 4.2 30.5 1.0 CD1 D:LEU362 4.4 56.1 1.0 CB D:ILE287 4.4 56.4 1.0 O D:ILE283 4.5 28.2 1.0 C D:ILE283 4.5 29.9 1.0 N D:THR284 4.6 31.2 1.0 CB D:ILE283 4.7 31.6 1.0 CA D:THR284 4.9 31.9 1.0 CG2 D:ILE287 4.9 60.1 1.0 C18 D:33Y501 4.9 34.9 1.0 CG2 D:ILE349 5.0 26.0 1.0

Fluorine binding site 4 out of 4 in the A Structure of Fxr/Rxr


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of A Structure of Fxr/Rxr within 5.0Å range: probe atom residue distance (Å) B Occ D:F501 b:40.2 occ:1.00 F26 D:33Y501 0.0 40.2 1.0 C23 D:33Y501 1.3 33.9 1.0 C22 D:33Y501 2.3 32.3 1.0 C24 D:33Y501 2.3 34.9 1.0 F32 D:33Y501 2.6 37.9 1.0 CG2 D:ILE349 3.3 26.0 1.0 CD2 D:LEU362 3.4 57.5 1.0 C21 D:33Y501 3.6 35.0 1.0 C25 D:33Y501 3.6 33.2 1.0 CD1 D:LEU362 3.9 56.1 1.0 CG D:LEU362 4.0 56.7 1.0 C20 D:33Y501 4.1 34.9 1.0 CG2 D:ILE283 4.2 31.6 1.0 CB D:ILE349 4.2 25.8 1.0 OG1 D:THR284 4.3 33.3 1.0 CA D:THR284 4.5 31.9 1.0 N D:PHE350 4.5 26.2 1.0 N D:THR284 4.5 31.2 1.0 C D:ILE349 4.6 25.2 1.0 CA D:PHE350 4.6 26.8 1.0 O D:ILE349 4.8 25.7 1.0

W.Zheng, Y.Lu, S.Tian, F.Ma, Y.Wei, S.Xu, Y.Li. Structural Insights Into the Heterodimeric Complex of the Nuclear Receptors Fxr and Rxr J. Biol. Chem. V. 293 12535 2018.
ISSN: ESSN 1083-351X
PubMed: 29934308
DOI: 10.1074/JBC.RA118.004188