Sodium in PDB 6zde: 17BETA-Hydroxysteroid Dehydrogenase Type 14 Variant S205 in Complex with Pentafluorophenol

The structure of 17BETA-Hydroxysteroid Dehydrogenase Type 14 Variant S205 in Complex with Pentafluorophenol, PDB code: 6zde 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)	29.65 / 1.87
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	91.251, 91.251, 133.06, 90, 90, 90
R / Rfree (%)	16.4 / 19.1

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

Fluorine

(F)

5 atoms

The binding sites of Sodium atom in the 17BETA-Hydroxysteroid Dehydrogenase Type 14 Variant S205 in Complex with Pentafluorophenol (pdb code 6zde). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the 17BETA-Hydroxysteroid Dehydrogenase Type 14 Variant S205 in Complex with Pentafluorophenol, PDB code: 6zde:

Sodium binding site 1 out of 1 in the 17BETA-Hydroxysteroid Dehydrogenase Type 14 Variant S205 in Complex with Pentafluorophenol


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of 17BETA-Hydroxysteroid Dehydrogenase Type 14 Variant S205 in Complex with Pentafluorophenol within 5.0Å range: probe atom residue distance (Å) B Occ A:Na303 b:26.5 occ:1.00 O A:HOH513 2.3 27.9 0.6 O A:GLU50 2.3 22.7 0.5 O A:LEU53 2.3 21.8 1.0 O A:HOH513 2.4 23.1 0.4 O A:GLU50 2.4 23.3 0.5 O A:ALA56 2.4 20.5 1.0 O A:HOH503 2.7 34.8 1.0 O A:PRO54 3.3 22.8 0.4 C A:LEU53 3.4 23.7 1.0 C A:GLU50 3.4 22.4 0.5 C A:GLU50 3.4 22.4 0.5 CG A:GLU50 3.5 22.1 0.5 C A:ALA56 3.6 23.9 1.0 C A:PRO54 3.6 23.4 0.4 CA A:PRO54 3.7 24.9 0.4 CA A:PRO54 3.8 24.9 0.6 N A:ALA56 3.9 21.6 1.0 CA A:GLU50 3.9 21.2 0.5 N A:PRO54 3.9 25.2 0.6 CA A:GLU50 4.0 21.3 0.5 N A:PRO54 4.0 25.2 0.4 N A:GLY55 4.0 21.9 0.6 CG A:GLU50 4.2 22.4 0.5 CA A:ALA56 4.2 19.7 1.0 C A:PRO54 4.3 21.0 0.6 CB A:GLU50 4.3 22.4 0.5 N A:LEU53 4.5 21.3 1.0 CA A:LEU53 4.5 20.5 1.0 N A:GLY55 4.5 19.8 0.4 N A:GLN51 4.6 20.1 1.0 CB A:GLU50 4.6 22.5 0.5 CB A:ALA56 4.7 19.3 1.0 N A:VAL57 4.7 18.0 1.0 CD A:GLU50 4.7 24.1 0.5 C A:GLY55 4.8 20.6 0.6 OE1 A:GLU50 4.9 23.3 0.5 CA A:GLN51 4.9 18.7 1.0 O A:LEU49 4.9 21.0 1.0 C A:GLN51 5.0 22.2 1.0 CA A:VAL57 5.0 20.4 1.0 CA A:GLY55 5.0 18.1 0.6 CG1 A:VAL57 5.0 23.1 1.0 C A:GLY55 5.0 21.4 0.4

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