Fluorine in PDB 7nrg: Crystal Structure of A Shortened Ipgc Variant in Complex with (1R)-2- Amino-1-(4-Fluorophenyl)Ethanol

The structure of Crystal Structure of A Shortened Ipgc Variant in Complex with (1R)-2- Amino-1-(4-Fluorophenyl)Ethanol, PDB code: 7nrg was solved by M.Gardonyi, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.81 / 1.57
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	57.878, 57.878, 159.1, 90, 90, 120
R / Rfree (%)	18.2 / 20.5

The structure of Crystal Structure of A Shortened Ipgc Variant in Complex with (1R)-2- Amino-1-(4-Fluorophenyl)Ethanol also contains other interesting chemical elements:

Chlorine	(Cl)	4 atoms
Magnesium	(Mg)	1 atom

The binding sites of Fluorine atom in the Crystal Structure of A Shortened Ipgc Variant in Complex with (1R)-2- Amino-1-(4-Fluorophenyl)Ethanol (pdb code 7nrg). 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 A Shortened Ipgc Variant in Complex with (1R)-2- Amino-1-(4-Fluorophenyl)Ethanol, PDB code: 7nrg:

Fluorine binding site 1 out of 1 in the Crystal Structure of A Shortened Ipgc Variant in Complex with (1R)-2- Amino-1-(4-Fluorophenyl)Ethanol


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 A Shortened Ipgc Variant in Complex with (1R)-2- Amino-1-(4-Fluorophenyl)Ethanol within 5.0Å range: probe atom residue distance (Å) B Occ A:F206 b:27.4 occ:0.85 F A:UQB206 0.0 27.4 0.8 C5 A:UQB206 1.4 27.9 0.8 C4 A:UQB206 2.3 33.4 0.8 C6 A:UQB206 2.3 27.0 0.8 HA B:ALA94 2.6 19.7 1.0 HB2 B:PHE97 2.8 21.6 1.0 HG22 B:VAL107 3.0 28.9 1.0 HB3 B:PHE97 3.1 21.6 1.0 HB2 B:PRO106 3.2 26.9 1.0 CB B:PHE97 3.3 18.0 1.0 HA B:VAL107 3.4 22.9 1.0 CA B:ALA94 3.5 16.4 1.0 C3 A:UQB206 3.6 28.9 0.8 C7 A:UQB206 3.6 25.4 0.8 O B:TYR93 3.7 17.5 1.0 CG B:PHE97 3.7 22.9 1.0 HG23 B:VAL107 3.8 28.9 1.0 CG2 B:VAL107 3.8 24.1 1.0 HB2 B:ALA94 3.9 21.6 1.0 N B:ALA94 3.9 15.2 1.0 C B:TYR93 4.0 16.6 1.0 N B:VAL107 4.0 18.1 1.0 C B:PRO106 4.0 20.1 1.0 OG1 B:THR110 4.1 18.0 1.0 CB B:ALA94 4.1 18.0 1.0 O B:PRO106 4.1 17.9 1.0 HG1 B:THR110 4.1 21.7 1.0 HB3 B:TYR93 4.1 18.4 1.0 CA B:VAL107 4.1 19.0 1.0 C2 A:UQB206 4.1 31.4 0.8 CB B:PRO106 4.1 22.4 1.0 HB1 B:ALA94 4.1 21.6 1.0 CD1 B:PHE97 4.2 29.2 1.0 HD1 B:PHE97 4.2 35.1 1.0 HE1 A:PHE97 4.3 22.5 1.0 H B:PHE97 4.3 21.8 1.0 CD2 B:PHE97 4.3 28.1 1.0 H B:VAL107 4.4 21.7 1.0 H B:ALA94 4.4 18.2 1.0 HD2 B:PHE97 4.4 33.8 1.0 HB3 B:PRO106 4.5 26.9 1.0 C B:ALA94 4.5 18.4 1.0 HG21 B:VAL107 4.5 28.9 1.0 CB B:VAL107 4.5 19.6 1.0 HB B:THR110 4.5 22.1 1.0 O B:ALA94 4.6 18.5 1.0 HG2 B:PRO106 4.6 28.7 1.0 HG13 B:VAL107 4.7 28.2 1.0 CA B:PHE97 4.7 20.7 1.0 CA B:PRO106 4.7 20.9 1.0 HG21 B:THR110 4.8 24.9 1.0 CB B:TYR93 4.8 15.3 1.0 CB B:THR110 4.8 18.4 1.0 HB2 B:TYR93 4.9 18.4 1.0 N B:PHE97 4.9 18.1 1.0 CG B:PRO106 5.0 23.9 1.0

M.Gardonyi, A.Heine, G.Klebe. Crystal Structure of A Shortened Ipgc Variant in Complex with (1R)-2-Amino-1-(4-Fluorophenyl)Ethanol To Be Published.