Sodium in PDB 6g4l: 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: 6g4l 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)	46.21 / 1.44
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	91.423, 91.423, 132.141, 90.00, 90.00, 90.00
R / Rfree (%)	15.6 / 17.9

The structure of 17BETA-Hydroxysteroid Dehydrogenase Type 14 Mutant Y253A in Complex with A Non-Steroidal Inhibitor also contains other interesting chemical elements:

Fluorine

(F)

2 atoms

The binding sites of Sodium atom in the 17BETA-Hydroxysteroid Dehydrogenase Type 14 Mutant Y253A in Complex with A Non-Steroidal Inhibitor (pdb code 6g4l). 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 Y253A in Complex with A Non-Steroidal Inhibitor, PDB code: 6g4l:

Sodium 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 Sodium with other atoms in the Na 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:Na302 b:19.6 occ:1.00 O A:GLU50 2.3 17.0 0.6 O A:ALA56 2.3 15.6 1.0 O A:LEU53 2.4 17.0 1.0 O A:GLU50 2.4 16.4 0.4 O A:HOH529 2.4 34.0 1.0 O A:HOH571 2.5 30.7 1.0 O A:HOH488 2.5 33.3 1.0 HG3 A:GLU50 2.8 24.3 0.4 H A:ALA56 3.2 19.4 1.0 HA A:PRO54 3.2 24.3 1.0 HG3 A:GLU50 3.4 28.4 0.6 C A:GLU50 3.4 14.0 0.6 C A:GLU50 3.4 14.0 0.4 HA A:GLU50 3.4 16.9 0.4 C A:LEU53 3.4 18.7 1.0 HG2 A:GLU50 3.4 24.3 0.4 HA A:GLU50 3.4 16.7 0.6 C A:ALA56 3.5 16.2 1.0 CG A:GLU50 3.5 20.3 0.4 H A:GLY55 3.8 29.0 1.0 N A:ALA56 3.8 16.2 1.0 CA A:GLU50 3.9 14.1 0.4 CA A:GLU50 3.9 13.9 0.6 CA A:PRO54 4.0 20.2 1.0 HB3 A:ALA56 4.0 21.2 1.0 N A:PRO54 4.0 20.0 1.0 HG2 A:GLU50 4.1 28.4 0.6 H A:LEU53 4.1 19.5 1.0 CG A:GLU50 4.1 23.7 0.6 HG12 A:VAL57 4.1 23.2 1.0 CA A:ALA56 4.2 16.0 1.0 N A:GLY55 4.2 24.1 1.0 HA A:VAL57 4.2 20.9 1.0 CB A:GLU50 4.3 17.5 0.4 C A:PRO54 4.4 19.7 1.0 HB2 A:LEU53 4.4 18.7 1.0 N A:LEU53 4.5 16.3 1.0 CA A:LEU53 4.5 17.0 1.0 HA A:GLN51 4.5 18.6 1.0 N A:GLN51 4.5 15.7 1.0 CB A:GLU50 4.5 18.0 0.6 N A:VAL57 4.6 14.6 1.0 CB A:ALA56 4.6 17.7 1.0 HG13 A:VAL57 4.7 23.2 1.0 CD A:GLU50 4.7 20.2 0.4 HB2 A:GLU50 4.8 21.0 0.4 C A:GLY55 4.8 20.2 1.0 CG1 A:VAL57 4.8 19.3 1.0 CA A:VAL57 4.9 17.4 1.0 CA A:GLN51 4.9 15.5 1.0 HB2 A:GLU50 4.9 21.6 0.6 OE1 A:GLU50 4.9 23.6 0.4 O A:LEU49 4.9 16.6 1.0 C A:GLN51 5.0 16.3 1.0 CB A:LEU53 5.0 15.6 1.0

M.Badran, A.Merabet, F.Braun, N.Bertoletti, S.Marchais-Oberwinkler, A.Heine, A.Klebe. 17BETA-Hydroxysteroid Dehydrogenase Type 14 Mutant Y253A in Complex with A Non-Steroidal Inhibitor To Be Published.