Fluorine in PDB 6zdi: 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: 6zdi 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)	46.34 / 2.13
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	91.254, 91.254, 133.167, 90, 90, 90
R / Rfree (%)	21.1 / 26.2

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 6zdi). 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: 6zdi:

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:F303 b:33.8 occ:1.00 F A:QFT303 0.0 33.8 1.0 C5 A:QFT303 1.4 31.0 1.0 C4 A:QFT303 2.3 29.1 1.0 C A:QFT303 2.4 27.8 1.0 O A:QFT303 2.8 29.2 1.0 OG A:SER141 3.0 25.8 1.0 CG1 A:VAL143 3.5 26.0 1.0 C3 A:QFT303 3.6 29.4 1.0 C1 A:QFT303 3.6 27.6 1.0 C4N A:NAD301 3.7 26.6 1.0 C5N A:NAD301 3.8 26.6 1.0 O A:PRO184 4.0 22.3 1.0 O A:GLY185 4.0 32.9 1.0 C2 A:QFT303 4.1 31.0 1.0 C A:GLY185 4.1 26.9 1.0 CA A:GLY185 4.2 26.7 1.0 CG2 A:VAL143 4.3 30.6 1.0 CB A:SER141 4.3 24.0 1.0 N A:VAL143 4.5 26.7 1.0 CB A:VAL143 4.5 31.2 1.0 N A:LEU142 4.6 26.2 1.0 N A:ASN186 4.7 26.5 1.0 N7N A:NAD301 4.8 26.6 1.0 C3N A:NAD301 4.8 21.6 1.0 C A:PRO184 4.8 25.7 1.0 CB A:LEU142 4.9 25.3 1.0 C6N A:NAD301 4.9 23.5 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.