Sodium in PDB 5hs6: Human 17BETA-Hydroxysteroid Dehydrogenase Type 14 in Complex with Estrone

The structure of Human 17BETA-Hydroxysteroid Dehydrogenase Type 14 in Complex with Estrone, PDB code: 5hs6 was solved by N.Bertoletti, S.Marchais-Oberwinkler, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.11 / 2.02
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	91.111, 91.111, 132.021, 90.00, 90.00, 90.00
R / Rfree (%)	16 / 18.8

The binding sites of Sodium atom in the Human 17BETA-Hydroxysteroid Dehydrogenase Type 14 in Complex with Estrone (pdb code 5hs6). 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 Human 17BETA-Hydroxysteroid Dehydrogenase Type 14 in Complex with Estrone, PDB code: 5hs6:

Sodium binding site 1 out of 1 in the Human 17BETA-Hydroxysteroid Dehydrogenase Type 14 in Complex with Estrone


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Human 17BETA-Hydroxysteroid Dehydrogenase Type 14 in Complex with Estrone within 5.0Å range: probe atom residue distance (Å) B Occ A:Na303 b:30.3 occ:1.00 O A:LEU53 2.3 22.2 1.0 O A:GLU50 2.3 26.5 1.0 O A:ALA56 2.4 25.1 1.0 O A:HOH518 2.4 44.7 1.0 O A:HOH480 2.4 40.4 1.0 C A:LEU53 3.3 24.3 1.0 C A:GLU50 3.4 27.1 1.0 C A:ALA56 3.5 25.6 1.0 N A:ALA56 3.7 25.4 1.0 CG A:GLU50 3.8 27.9 1.0 CA A:PRO54 3.9 30.6 1.0 CA A:GLU50 3.9 26.1 1.0 N A:GLY55 3.9 30.3 1.0 N A:PRO54 4.0 29.8 1.0 CA A:ALA56 4.2 25.3 1.0 C A:PRO54 4.2 35.2 1.0 N A:LEU53 4.4 22.9 1.0 CA A:LEU53 4.4 24.3 1.0 CB A:GLU50 4.5 28.4 1.0 N A:GLN51 4.6 23.6 1.0 CB A:ALA56 4.6 22.3 1.0 N A:VAL57 4.7 23.5 1.0 C A:GLY55 4.7 27.6 1.0 O A:LEU49 4.8 25.2 1.0 CA A:GLY55 4.8 30.2 1.0 CA A:GLN51 4.9 24.1 1.0 C A:GLN51 4.9 24.8 1.0 CB A:LEU53 4.9 22.4 1.0 CG1 A:VAL57 5.0 25.1 1.0 CA A:VAL57 5.0 30.6 1.0 O A:GLN51 5.0 29.3 1.0 CD A:GLU50 5.0 34.2 1.0

N.Bertoletti, F.Braun, M.Lepage, G.Moller, J.Adamski, A.Heine, G.Klebe, S.Marchais-Oberwinkler. New Insights Into Human 17 Beta-Hydroxysteroid Dehydrogenase Type 14: First Crystal Structures in Complex with A Steroidal Ligand and with A Potent Nonsteroidal Inhibitor. J.Med.Chem. V. 59 6961 2016.
ISSN: ISSN 0022-2623
PubMed: 27362750
DOI: 10.1021/ACS.JMEDCHEM.6B00293