Sodium 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:

Fluorine

(F)

1 atom

The binding sites of Sodium 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 Sodium atom.
In total only one binding site of Sodium was determined in the 17BETA-Hydroxysteroid Dehydrogenase Type 14 Variant S205 in Complex with Non-Steroidal Inhibitor, PDB code: 6zr6:

Sodium 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 Sodium with other atoms in the Na 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:Na303 b:23.8 occ:1.00 O A:LEU53 2.3 21.4 1.0 O A:GLU50 2.3 19.7 1.0 O A:HOH532 2.3 31.9 0.6 O A:HOH532 2.3 31.5 0.4 O A:ALA56 2.4 18.5 1.0 O A:HOH527 2.7 39.9 1.0 O A:PRO54 3.4 25.5 0.6 C A:LEU53 3.4 22.3 1.0 C A:GLU50 3.4 18.9 1.0 C A:ALA56 3.5 17.8 1.0 C A:PRO54 3.7 24.6 0.6 CA A:PRO54 3.8 25.1 0.6 N A:ALA56 3.8 20.2 1.0 CA A:PRO54 3.9 23.9 0.4 CA A:GLU50 3.9 18.6 1.0 N A:PRO54 4.0 24.0 0.4 N A:PRO54 4.0 24.9 0.6 CG A:GLU50 4.1 25.8 1.0 N A:GLY55 4.1 22.3 0.4 CA A:ALA56 4.2 18.6 1.0 C A:PRO54 4.3 23.7 0.4 CA A:LEU53 4.4 20.2 1.0 N A:LEU53 4.5 19.6 1.0 CB A:GLU50 4.5 21.3 1.0 N A:GLY55 4.5 22.6 0.6 N A:GLN51 4.5 18.6 1.0 N A:VAL57 4.6 17.3 1.0 CB A:ALA56 4.6 20.3 1.0 C A:GLY55 4.7 20.9 0.4 CA A:GLN51 4.9 19.1 1.0 C A:GLY55 4.9 21.3 0.6 C A:GLN51 4.9 19.1 1.0 CA A:VAL57 4.9 17.9 1.0 O A:LEU49 4.9 20.1 1.0 CG1 A:VAL57 5.0 19.7 1.0 CA A:GLY55 5.0 21.6 0.4 CB A:LEU53 5.0 20.2 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.