Fluorine in PDB 5y1j: Crystal Structure of Human Fxr in Complex with A Functional Drug Ligand

The structure of Crystal Structure of Human Fxr in Complex with A Functional Drug Ligand, PDB code: 5y1j 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 / 2.00
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	34.668, 162.046, 115.619, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 23.8

The binding sites of Fluorine atom in the Crystal Structure of Human Fxr in Complex with A Functional Drug Ligand (pdb code 5y1j). 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 Crystal Structure of Human Fxr in Complex with A Functional Drug Ligand, PDB code: 5y1j:

Fluorine binding site 1 out of 1 in the Crystal Structure of Human Fxr in Complex with A Functional Drug Ligand


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Human Fxr in Complex with A Functional Drug Ligand within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:21.3 occ:1.00 F A:D5H501 0.0 21.3 1.0 C9 A:D5H501 1.3 19.2 1.0 C8 A:D5H501 2.3 20.0 1.0 C10 A:D5H501 2.4 18.3 1.0 N A:D5H501 2.7 19.2 1.0 O2 A:D5H501 3.0 22.2 1.0 CE1 A:HIS294 3.4 18.0 1.0 ND1 A:HIS294 3.4 17.2 1.0 CB A:MET290 3.5 15.8 1.0 C7 A:D5H501 3.5 21.8 1.0 C11 A:D5H501 3.6 20.2 1.0 CE A:MET290 3.7 22.9 1.0 C13 A:D5H501 4.0 21.0 1.0 C12 A:D5H501 4.0 20.8 1.0 N A:ALA291 4.0 13.4 1.0 C19 A:D5H501 4.0 22.8 1.0 CD1 A:LEU287 4.1 25.4 1.0 C A:MET290 4.1 14.3 1.0 OG A:SER332 4.3 16.3 1.0 O A:MET290 4.4 13.3 1.0 CA A:ALA291 4.5 14.4 1.0 CA A:MET290 4.5 15.3 1.0 CG A:MET290 4.6 17.9 1.0 SD A:MET290 4.6 19.7 1.0 SD A:MET328 4.6 16.5 1.0 NE2 A:HIS294 4.6 24.5 1.0 O A:LEU287 4.6 13.6 1.0 C5 A:D5H501 4.8 21.2 1.0 O1 A:D5H501 4.8 21.2 1.0 C14 A:D5H501 4.8 21.1 1.0 CG A:HIS294 4.8 17.3 1.0 CB A:ALA291 4.8 15.5 1.0 O3 A:D5H501 4.8 25.0 1.0 C15 A:D5H501 4.8 21.5 1.0 CG A:MET328 4.9 15.2 1.0

Y.Lu, Y.Li. Crystal Structure of Human Fxr in Complex with A Functional Drug Liagnd To Be Published.