Sodium in PDB 6h0m: 17BETA-Hydroxysteroid Dehydrogenase Type 14 Mutant K158A in Complex with Nicotinamide Adenine Dinucleotide

The structure of 17BETA-Hydroxysteroid Dehydrogenase Type 14 Mutant K158A in Complex with Nicotinamide Adenine Dinucleotide, PDB code: 6h0m 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)	46.07 / 1.25
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	91.590, 91.590, 131.112, 90.00, 90.00, 90.00
R / Rfree (%)	12.6 / 14.7

The binding sites of Sodium atom in the 17BETA-Hydroxysteroid Dehydrogenase Type 14 Mutant K158A in Complex with Nicotinamide Adenine Dinucleotide (pdb code 6h0m). 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 Mutant K158A in Complex with Nicotinamide Adenine Dinucleotide, PDB code: 6h0m:

Sodium binding site 1 out of 1 in the 17BETA-Hydroxysteroid Dehydrogenase Type 14 Mutant K158A in Complex with Nicotinamide Adenine Dinucleotide


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 Mutant K158A in Complex with Nicotinamide Adenine Dinucleotide within 5.0Å range: probe atom residue distance (Å) B Occ A:Na301 b:15.5 occ:1.00 O A:GLU50 2.3 12.1 0.4 O A:ALA56 2.4 12.2 1.0 O A:LEU53 2.4 13.7 1.0 O A:GLU50 2.4 13.2 0.6 O A:HOH565 2.4 28.8 1.0 O A:HOH401 2.5 27.8 0.6 O A:HOH551 2.8 40.2 1.0 HG3 A:GLU50 2.9 17.9 0.6 H A:ALA56 3.2 15.5 1.0 HA A:PRO54 3.3 19.5 0.4 HA A:PRO54 3.3 19.3 0.6 C A:LEU53 3.4 13.9 1.0 C A:GLU50 3.4 12.2 0.4 C A:GLU50 3.4 12.7 0.6 HG3 A:GLU50 3.4 16.7 0.4 O A:PRO54 3.4 16.4 0.4 HA A:GLU50 3.5 15.3 0.6 HA A:GLU50 3.5 14.9 0.4 C A:ALA56 3.5 11.6 1.0 HG2 A:GLU50 3.6 17.9 0.6 CG A:GLU50 3.6 15.0 0.6 C A:PRO54 3.7 16.0 0.4 H A:GLY55 3.7 17.3 0.6 CA A:PRO54 3.8 16.3 0.4 N A:ALA56 3.8 12.9 1.0 CA A:GLU50 3.9 12.8 0.6 CA A:GLU50 3.9 12.5 0.4 CA A:PRO54 4.0 16.1 0.6 N A:PRO54 4.0 15.2 0.6 N A:PRO54 4.0 15.3 0.4 HB3 A:ALA56 4.0 15.9 1.0 H A:LEU53 4.1 15.0 1.0 HG2 A:GLU50 4.1 16.7 0.4 CG A:GLU50 4.1 13.9 0.4 N A:GLY55 4.2 14.4 0.6 CA A:ALA56 4.2 12.3 1.0 HG12 A:VAL57 4.2 16.5 1.0 HA A:VAL57 4.3 13.6 1.0 CB A:GLU50 4.4 13.6 0.6 N A:LEU53 4.5 12.5 1.0 CA A:LEU53 4.5 12.9 1.0 C A:PRO54 4.5 15.6 0.6 HA A:GLN51 4.5 14.7 1.0 HB2 A:LEU53 4.5 16.4 1.0 N A:GLY55 4.5 15.1 0.4 N A:GLN51 4.6 12.2 1.0 CB A:GLU50 4.6 13.3 0.4 N A:VAL57 4.6 10.7 1.0 CB A:ALA56 4.7 13.2 1.0 HG13 A:VAL57 4.7 16.5 1.0 HB2 A:GLU50 4.8 16.3 0.6 CD A:GLU50 4.8 16.1 0.6 C A:GLY55 4.8 14.3 0.6 C A:GLY55 4.8 14.1 0.4 O A:LEU49 4.9 12.1 0.4 CA A:GLN51 4.9 12.3 1.0 CG1 A:VAL57 4.9 13.7 1.0 CA A:VAL57 4.9 11.3 1.0 H A:GLY55 4.9 18.1 0.4 C A:GLN51 4.9 12.3 1.0 O A:LEU49 5.0 12.5 0.6 HB2 A:GLU50 5.0 15.9 0.4

M.Badran, G.Klebe, A.Heine, A.Merabet, N.Bertoletti, S.Marchais-Oberwinkler. 17BETA-Hydroxysteroid Dehydrogenase Type 14 Mutant K158A in Complex with Nicotinamide Adenine Dinucleotide To Be Published.