Sodium in PDB 7wys: Crystal Structures of Na+,K+-Atpase in Complex with Istaroxime

All present enzymatic activity of Crystal Structures of Na+,K+-Atpase in Complex with Istaroxime:
7.2.2.13;

The structure of Crystal Structures of Na+,K+-Atpase in Complex with Istaroxime, PDB code: 7wys was solved by H.Ogawa, F.Cornelius, R.Kanai, K.Motoyama, B.Vilsen, C.Toyoshima, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.98 / 3.71
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	115.109, 117.47, 491.339, 90, 90, 90
R / Rfree (%)	19.3 / 23.8

The structure of Crystal Structures of Na+,K+-Atpase in Complex with Istaroxime also contains other interesting chemical elements:

Magnesium

(Mg)

4 atoms

The binding sites of Sodium atom in the Crystal Structures of Na+,K+-Atpase in Complex with Istaroxime (pdb code 7wys). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Crystal Structures of Na+,K+-Atpase in Complex with Istaroxime, PDB code: 7wys:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Crystal Structures of Na+,K+-Atpase in Complex with Istaroxime


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structures of Na+,K+-Atpase in Complex with Istaroxime within 5.0Å range: probe atom residue distance (Å) B Occ A:Na1102 b:57.0 occ:1.00 OD2 A:ASP740 2.5 102.7 1.0 OD1 A:ASP740 2.9 99.6 1.0 CG A:ASP740 3.1 105.0 1.0 O A:LYS719 3.4 158.6 1.0 O A:GLY272 3.8 123.0 1.0 CA A:GLY272 4.0 143.3 1.0 O A:ALA721 4.1 133.8 1.0 C A:GLY272 4.4 137.2 1.0 C A:LYS719 4.4 146.0 1.0 CD A:LYS719 4.4 124.5 1.0 O A:ALA738 4.6 110.4 1.0 CB A:ASP740 4.6 112.3 1.0 O A:SER718 4.6 113.9 1.0 CA A:LYS719 4.7 138.9 1.0 O A:ASP722 5.0 107.0 1.0 CE A:LYS719 5.0 123.2 1.0

Sodium binding site 2 out of 2 in the Crystal Structures of Na+,K+-Atpase in Complex with Istaroxime


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Crystal Structures of Na+,K+-Atpase in Complex with Istaroxime within 5.0Å range: probe atom residue distance (Å) B Occ C:Na1102 b:27.2 occ:1.00 OD2 C:ASP740 2.4 91.0 1.0 OD1 C:ASP740 2.8 92.6 1.0 CG C:ASP740 3.0 97.2 1.0 O C:GLY272 3.4 150.3 1.0 O C:LYS719 3.6 181.1 1.0 O C:ALA721 3.7 152.6 1.0 C C:GLY272 4.3 152.7 1.0 CA C:GLY272 4.3 153.0 1.0 O C:ASP722 4.4 150.6 1.0 CB C:ASP740 4.5 105.2 1.0 O C:SER718 4.6 137.4 1.0 C C:LYS719 4.6 173.7 1.0 C C:ASP722 4.8 150.3 1.0 C C:ALA721 5.0 148.7 1.0 O C:ALA738 5.0 110.9 1.0 CA C:LYS719 5.0 170.7 1.0

R.Kanai, F.Cornelius, B.Vilsen, C.Toyoshima. Cryoelectron Microscopy of Na + ,K + -Atpase in the Two E2P States with and Without Cardiotonic Steroids. Proc.Natl.Acad.Sci.Usa V. 119 26119 2022.
ISSN: ESSN 1091-6490
PubMed: 35380894
DOI: 10.1073/PNAS.2123226119