Fluorine in PDB 6gbt: 17BETA-Hydroxysteroid Dehydrogenase Type 14 Mutant Y253A in Complex with A Non-Steroidal Inhibitor

The structure of 17BETA-Hydroxysteroid Dehydrogenase Type 14 Mutant Y253A in Complex with A Non-Steroidal Inhibitor, PDB code: 6gbt was solved by M.Badran, G.Klebe, A.Heine, S.Marchais-Oberwinkler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.60 / 2.10
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	91.654, 91.654, 134.099, 90.00, 90.00, 90.00
R / Rfree (%)	15 / 19

The structure of 17BETA-Hydroxysteroid Dehydrogenase Type 14 Mutant Y253A in Complex with A 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 Mutant Y253A in Complex with A Non-Steroidal Inhibitor (pdb code 6gbt). 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 Mutant Y253A in Complex with A Non-Steroidal Inhibitor, PDB code: 6gbt:

Fluorine binding site 1 out of 1 in the 17BETA-Hydroxysteroid Dehydrogenase Type 14 Mutant Y253A in Complex with A 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 Mutant Y253A in Complex with A Non-Steroidal Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F302 b:28.3 occ:1.00 F A:F45302 0.0 28.3 1.0 C13 A:F45302 1.4 24.1 1.0 C14 A:F45302 2.3 25.3 1.0 C12 A:F45302 2.4 23.8 1.0 O2 A:F45302 2.7 20.9 1.0 OG A:SER141 2.9 20.7 1.0 CG1 A:VAL143 3.5 23.0 1.0 C11 A:F45302 3.6 24.8 1.0 C15 A:F45302 3.6 21.4 1.0 C4N A:NAD301 3.7 24.6 1.0 C5N A:NAD301 3.7 19.3 1.0 O A:PRO184 3.8 19.8 1.0 C A:GLY185 4.0 25.4 1.0 CA A:GLY185 4.0 22.3 1.0 O A:GLY185 4.1 28.2 1.0 C10 A:F45302 4.1 27.3 1.0 CB A:SER141 4.3 20.1 1.0 N A:VAL143 4.3 18.8 1.0 CG2 A:VAL143 4.4 22.4 1.0 CB A:VAL143 4.5 21.9 1.0 N A:ASN186 4.6 21.3 1.0 N A:LEU142 4.6 16.8 1.0 C A:PRO184 4.7 23.6 1.0 C3N A:NAD301 4.8 25.0 1.0 N A:GLY185 4.8 26.8 1.0 C6N A:NAD301 4.9 24.0 1.0 CB A:LEU142 4.9 15.5 1.0

M.J.Badran, M.Badran, G.Klebe, A.Heine, S.Marchais-Oberwinkler. N/A N/A.