Chlorine in PDB 5yxd: A Ligand F Binding to Fxr

The structure of A Ligand F Binding to Fxr, PDB code: 5yxd was solved by L.Yi, L.Yong, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	80.36 / 2.98
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	34.755, 160.725, 118.349, 90.00, 90.00, 90.00
R / Rfree (%)	24 / 26.8

The binding sites of Chlorine atom in the A Ligand F Binding to Fxr (pdb code 5yxd). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the A Ligand F Binding to Fxr, PDB code: 5yxd:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the A Ligand F Binding to Fxr


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of A Ligand F Binding to Fxr within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:59.9 occ:1.00 CL A:93R501 0.0 59.9 1.0 C10 A:93R501 1.8 55.5 1.0 C9 A:93R501 2.8 52.6 1.0 C11 A:93R501 2.9 53.5 1.0 CL1 A:93R501 3.0 59.9 1.0 SD A:MET365 3.2 55.9 1.0 CE A:MET365 3.7 54.5 1.0 CE A:MET450 3.9 42.1 1.0 C8 A:93R501 4.2 46.8 1.0 C12 A:93R501 4.2 48.7 1.0 CD1 A:ILE362 4.3 32.4 1.0 CB A:MET365 4.4 38.8 1.0 CG A:MET365 4.5 45.9 1.0 SD A:MET450 4.5 38.4 1.0 CZ A:PHE329 4.5 45.2 1.0 CE1 A:PHE329 4.7 46.0 1.0 C13 A:93R501 4.8 46.1 1.0 O A:TYR361 4.8 30.5 1.0 C A:93R501 4.8 57.4 1.0 C A:TYR361 4.9 32.8 1.0 CA A:ILE362 4.9 31.4 1.0 N A:ILE362 4.9 31.7 1.0 CB A:TYR361 5.0 33.5 1.0 CG2 A:ILE357 5.0 48.2 1.0

Chlorine binding site 2 out of 2 in the A Ligand F Binding to Fxr


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of A Ligand F Binding to Fxr within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:59.9 occ:1.00 CL1 A:93R501 0.0 59.9 1.0 C9 A:93R501 1.8 52.6 1.0 C10 A:93R501 2.8 55.5 1.0 CL A:93R501 3.0 59.9 1.0 C8 A:93R501 3.0 46.8 1.0 C6 A:93R501 3.3 39.0 1.0 C5 A:93R501 3.3 37.7 1.0 C7 A:93R501 3.4 42.8 1.0 C3 A:93R501 3.4 41.9 1.0 N A:93R501 3.4 37.4 1.0 CE A:MET450 3.4 42.1 1.0 C4 A:93R501 3.5 39.8 1.0 CZ A:PHE329 3.5 45.2 1.0 SD A:MET450 3.5 38.4 1.0 CE2 A:PHE329 4.1 44.2 1.0 C11 A:93R501 4.1 53.5 1.0 C14 A:93R501 4.1 41.1 1.0 C16 A:93R501 4.2 37.9 1.0 C13 A:93R501 4.2 46.1 1.0 C2 A:93R501 4.3 41.2 1.0 C17 A:93R501 4.4 40.0 1.0 CE1 A:PHE329 4.4 46.0 1.0 O3 A:93R501 4.5 42.6 1.0 O A:93R501 4.6 48.8 1.0 C A:93R501 4.6 57.4 1.0 C12 A:93R501 4.6 48.7 1.0 O2 A:93R501 4.9 39.6 1.0 CG A:MET450 5.0 33.9 1.0

L.Yi, L.Yong. A Ligand F Binding to Fxr To Be Published.