Fluorine in PDB 6zra: 17BETA-Hydroxysteroid Dehydrogenase Type 14 Variant S205 in Complex with 2-Fluoro-5-Nitrophenol

The structure of 17BETA-Hydroxysteroid Dehydrogenase Type 14 Variant S205 in Complex with 2-Fluoro-5-Nitrophenol, PDB code: 6zra was solved by M.J.Badran, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.20 / 1.73
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	91.15, 91.15, 132.498, 90, 90, 90
R / Rfree (%)	16.7 / 17.7

The structure of 17BETA-Hydroxysteroid Dehydrogenase Type 14 Variant S205 in Complex with 2-Fluoro-5-Nitrophenol also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Fluorine atom in the 17BETA-Hydroxysteroid Dehydrogenase Type 14 Variant S205 in Complex with 2-Fluoro-5-Nitrophenol (pdb code 6zra). 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 17BETA-Hydroxysteroid Dehydrogenase Type 14 Variant S205 in Complex with 2-Fluoro-5-Nitrophenol, PDB code: 6zra:

Fluorine binding site 1 out of 1 in the 17BETA-Hydroxysteroid Dehydrogenase Type 14 Variant S205 in Complex with 2-Fluoro-5-Nitrophenol


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of 17BETA-Hydroxysteroid Dehydrogenase Type 14 Variant S205 in Complex with 2-Fluoro-5-Nitrophenol within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:38.8 occ:0.72 F A:QFT301 0.0 38.8 0.7 C5 A:QFT301 1.4 35.3 0.7 C A:QFT301 2.4 33.8 0.7 C4 A:QFT301 2.4 37.5 0.7 O A:QFT301 2.7 40.4 0.7 CD1 A:TRP192 3.2 26.9 1.0 CG A:TRP192 3.4 26.8 1.0 CD1 A:LEU195 3.4 30.5 1.0 O A:HOH528 3.5 43.9 1.0 NE1 A:TRP192 3.5 22.8 1.0 C3 A:QFT301 3.6 33.0 0.7 C1 A:QFT301 3.6 28.8 0.7 CA A:TRP192 3.7 25.5 1.0 CD2 A:TRP192 3.9 26.4 1.0 O A:HOH505 3.9 48.7 1.0 CE2 A:TRP192 3.9 25.9 1.0 CB A:TRP192 3.9 25.9 1.0 C2 A:QFT301 4.1 33.8 0.7 N A:TRP192 4.2 24.6 1.0 O7N A:NAD303 4.5 23.7 1.0 CG A:LEU195 4.5 32.9 1.0 O A:LEU191 4.6 26.1 1.0 CB A:LEU195 4.7 29.7 1.0 C A:LEU191 4.7 27.6 1.0 C7N A:NAD303 4.8 24.2 1.0 CE3 A:TRP192 4.8 27.1 1.0 N7N A:NAD303 4.8 25.1 1.0 C A:TRP192 4.8 27.8 1.0 CZ2 A:TRP192 4.9 28.6 1.0 CG A:LEU191 4.9 31.2 1.0 O A:TRP192 4.9 26.4 1.0

M.J.Badran, A.Heine, G.Klebe. 17BETA-Hydroxysteroid Dehydrogenase Type 14 Variant S205 in Complex with 2-Fluoro-5-Nitrophenol To Be Published.