Fluorine in PDB 6zr6: 17BETA-Hydroxysteroid Dehydrogenase Type 14 Variant S205 in Complex with Non-Steroidal Inhibitor

The structure of 17BETA-Hydroxysteroid Dehydrogenase Type 14 Variant S205 in Complex with Non-Steroidal Inhibitor, PDB code: 6zr6 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)	46.12 / 1.50
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	91.102, 91.102, 132.098, 90, 90, 90
R / Rfree (%)	15.2 / 18

The structure of 17BETA-Hydroxysteroid Dehydrogenase Type 14 Variant S205 in Complex with Non-Steroidal Inhibitor 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 Non-Steroidal Inhibitor (pdb code 6zr6). 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 Non-Steroidal Inhibitor, PDB code: 6zr6:

Fluorine binding site 1 out of 1 in the 17BETA-Hydroxysteroid Dehydrogenase Type 14 Variant S205 in Complex with Non-Steroidal Inhibitor


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 Non-Steroidal Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F304 b:19.1 occ:1.00 F A:F45304 0.0 19.1 1.0 C13 A:F45304 1.3 16.4 1.0 C14 A:F45304 2.3 18.2 1.0 C12 A:F45304 2.4 18.3 1.0 O2 A:F45304 2.7 18.4 1.0 OG A:SER141 2.9 17.7 1.0 CG1 A:VAL143 3.6 19.3 1.0 C11 A:F45304 3.6 19.2 1.0 C15 A:F45304 3.6 17.0 1.0 C5N A:NAD302 3.7 16.4 1.0 C4N A:NAD302 3.7 15.6 1.0 O A:PRO184 3.7 16.4 1.0 C A:GLY185 4.0 19.3 1.0 O A:GLY185 4.0 21.2 1.0 CA A:GLY185 4.0 17.7 1.0 C10 A:F45304 4.1 18.9 1.0 CB A:SER141 4.3 16.3 1.0 N A:VAL143 4.3 15.5 1.0 CG2 A:VAL143 4.4 19.6 1.0 N A:LEU142 4.5 15.0 1.0 CB A:VAL143 4.5 18.5 1.0 N A:ASN186 4.6 19.3 1.0 C A:PRO184 4.6 16.6 1.0 CB A:LEU142 4.7 16.2 1.0 N A:GLY185 4.8 16.4 1.0 C6N A:NAD302 4.8 17.2 1.0 C3N A:NAD302 4.9 15.0 1.0 CA A:SER141 5.0 14.2 1.0 CA A:VAL143 5.0 15.9 1.0 CA A:LEU142 5.0 15.3 1.0

M.J.Badran, A.Heine, G.Klebe. 17BETA-Hydroxysteroid Dehydrogenase Type 14 Variant S205 in Complex with Non-Steroidal Inhibitor To Be Published.