Magnesium in PDB 3n23: Crystal Structure of the High Affinity Complex Between Ouabain and the E2P Form of the Sodium-Potassium Pump

All present enzymatic activity of Crystal Structure of the High Affinity Complex Between Ouabain and the E2P Form of the Sodium-Potassium Pump:
3.6.3.9;

The structure of Crystal Structure of the High Affinity Complex Between Ouabain and the E2P Form of the Sodium-Potassium Pump, PDB code: 3n23 was solved by L.Yatime, M.Laursen, J.P.Morth, M.Esmann, P.Nissen, N.U.Fedosova, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.55 / 4.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	117.160, 118.930, 494.100, 90.00, 90.00, 90.00
R / Rfree (%)	27.2 / 30.2

The binding sites of Magnesium atom in the Crystal Structure of the High Affinity Complex Between Ouabain and the E2P Form of the Sodium-Potassium Pump (pdb code 3n23). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of the High Affinity Complex Between Ouabain and the E2P Form of the Sodium-Potassium Pump, PDB code: 3n23:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the High Affinity Complex Between Ouabain and the E2P Form of the Sodium-Potassium Pump


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of the High Affinity Complex Between Ouabain and the E2P Form of the Sodium-Potassium Pump within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1017 b:0.7 occ:1.00 OP1 A:PHD369 2.5 0.4 1.0 OD2 A:ASP710 2.6 0.6 1.0 O A:THR371 2.7 0.2 1.0 OD1 A:PHD369 2.8 0.4 1.0 OD2 A:PHD369 2.9 0.4 1.0 CG A:PHD369 3.0 0.4 1.0 P A:PHD369 3.1 0.4 1.0 OP2 A:PHD369 3.6 0.4 1.0 N A:GLY711 3.6 0.0 1.0 CG A:ASP710 3.6 0.6 1.0 OD2 A:ASP714 3.7 0.6 1.0 C A:THR371 3.8 0.2 1.0 CA A:GLY711 3.8 0.0 1.0 CA A:GLY213 3.9 0.8 1.0 OD1 A:ASP710 4.0 0.6 1.0 CB A:THR371 4.1 0.3 1.0 O A:SER209 4.1 0.4 1.0 OD1 A:ASN713 4.2 0.8 1.0 CA A:THR371 4.3 0.2 1.0 N A:THR371 4.4 0.2 1.0 CB A:PHD369 4.5 0.4 1.0 OP3 A:PHD369 4.5 0.4 1.0 OD1 A:ASP714 4.6 0.6 1.0 CG A:ASP714 4.6 0.6 1.0 O A:GLY213 4.7 0.8 1.0 CG2 A:THR371 4.7 0.3 1.0 C A:GLY213 4.7 0.8 1.0 N A:ASP710 4.8 0.7 1.0 C A:ASP710 4.8 0.7 1.0 N A:GLY372 4.8 1.0 1.0 CB A:ASP710 4.9 0.6 1.0 ND2 A:ASN713 5.0 0.8 1.0 C A:GLY711 5.0 0.0 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the High Affinity Complex Between Ouabain and the E2P Form of the Sodium-Potassium Pump


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of the High Affinity Complex Between Ouabain and the E2P Form of the Sodium-Potassium Pump within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg1017 b:0.7 occ:1.00 OP1 C:PHD369 2.5 0.9 1.0 O C:THR371 2.6 0.4 1.0 OD2 C:ASP710 2.7 0.3 1.0 OD2 C:PHD369 3.0 0.9 1.0 CG C:PHD369 3.4 0.9 1.0 OD1 C:PHD369 3.6 0.9 1.0 P C:PHD369 3.6 0.9 1.0 C C:THR371 3.6 0.4 1.0 CG C:ASP710 3.7 0.3 1.0 CA C:GLY213 3.7 0.9 1.0 CB C:THR371 3.8 0.9 1.0 N C:GLY711 3.8 0.8 1.0 O C:SER209 3.9 1.0 1.0 OD1 C:ASP710 3.9 0.3 1.0 CA C:GLY711 4.0 0.8 1.0 CA C:THR371 4.1 0.4 1.0 OD2 C:ASP714 4.2 0.1 1.0 OP2 C:PHD369 4.3 0.9 1.0 CG2 C:THR371 4.3 0.9 1.0 N C:THR371 4.3 0.4 1.0 O C:GLY213 4.4 0.9 1.0 C C:GLY213 4.5 0.9 1.0 OD1 C:ASN713 4.5 0.6 1.0 N C:GLY372 4.6 0.1 1.0 OP3 C:PHD369 4.8 0.9 1.0 CB C:PHD369 4.8 0.9 1.0 C C:SER209 4.8 1.0 1.0 OG1 C:THR371 4.9 0.9 1.0 N C:GLY213 4.9 0.9 1.0 C C:ASP710 4.9 0.7 1.0 OD1 C:ASP714 5.0 0.1 1.0

L.Yatime, M.Laursen, J.P.Morth, M.Esmann, P.Nissen, N.U.Fedosova. Structural Insights Into the High Affinity Binding of Cardiotonic Steroids to the Na+,K+-Atpase. J.Struct.Biol. V. 174 296 2011.
ISSN: ISSN 1047-8477
PubMed: 21182963
DOI: 10.1016/J.JSB.2010.12.004