Magnesium in PDB 4res: Crystal Structure of the Na,K-Atpase E2P-Bufalin Complex with Bound Potassium

All present enzymatic activity of Crystal Structure of the Na,K-Atpase E2P-Bufalin Complex with Bound Potassium:
3.6.3.9;

The structure of Crystal Structure of the Na,K-Atpase E2P-Bufalin Complex with Bound Potassium, PDB code: 4res was solved by M.Laursen, L.Yatime, J.L.Gregersen, P.Nissen, N.U.Fedosova, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.90 / 3.41
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	65.910, 240.270, 152.700, 90.00, 102.28, 90.00
R / Rfree (%)	24.5 / 28.8

The structure of Crystal Structure of the Na,K-Atpase E2P-Bufalin Complex with Bound Potassium also contains other interesting chemical elements:

Potassium

(K)

6 atoms

The binding sites of Magnesium atom in the Crystal Structure of the Na,K-Atpase E2P-Bufalin Complex with Bound Potassium (pdb code 4res). 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 Na,K-Atpase E2P-Bufalin Complex with Bound Potassium, PDB code: 4res:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the Na,K-Atpase E2P-Bufalin Complex with Bound Potassium


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 Na,K-Atpase E2P-Bufalin Complex with Bound Potassium within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg2006 b:71.1 occ:1.00 O A:THR371 2.0 0.2 1.0 OP1 A:PHD369 2.0 0.2 1.0 OD2 A:ASP710 2.2 89.2 1.0 OD1 A:ASP710 2.2 87.8 1.0 OP3 A:PHD369 2.4 0.5 1.0 CG A:ASP710 2.5 87.8 1.0 OD2 A:PHD369 2.5 0.4 1.0 P A:PHD369 2.6 0.9 1.0 OG1 A:THR371 2.6 1.0 1.0 C A:THR371 3.0 0.9 1.0 CG A:PHD369 3.2 0.2 1.0 OD1 A:PHD369 3.4 0.7 1.0 CA A:THR371 3.6 0.4 1.0 CB A:THR371 3.6 0.4 1.0 N A:THR371 3.7 0.5 1.0 OP2 A:PHD369 3.9 0.6 1.0 CB A:ASP710 3.9 86.5 1.0 N A:GLY372 4.1 86.2 1.0 O A:SER209 4.2 87.7 1.0 OG1 A:THR373 4.4 72.7 1.0 C A:LYS370 4.5 79.9 1.0 CA A:GLY372 4.5 84.2 1.0 ND2 A:ASN713 4.6 95.8 1.0 N A:GLY711 4.6 0.3 1.0 CB A:PHD369 4.7 0.4 1.0 CA A:GLY213 4.7 0.8 1.0 OD2 A:ASP714 4.8 96.3 1.0 N A:LYS370 4.8 78.7 1.0 C A:GLY372 4.9 82.7 1.0 CG2 A:THR371 4.9 0.3 1.0 OD1 A:ASN713 4.9 92.6 1.0 N A:THR373 4.9 75.6 1.0 N A:ASP710 4.9 84.7 1.0 CA A:ASP710 4.9 84.7 1.0 OG A:SER209 4.9 87.3 1.0 O A:LYS370 4.9 79.2 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the Na,K-Atpase E2P-Bufalin Complex with Bound Potassium


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 Na,K-Atpase E2P-Bufalin Complex with Bound Potassium within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg1107 b:0.7 occ:1.00 O C:THR371 1.9 0.8 1.0 OP3 C:PHD369 2.0 0.4 1.0 OD1 C:ASP710 2.2 83.2 1.0 OD2 C:ASP710 2.3 84.2 1.0 OP2 C:PHD369 2.3 0.7 1.0 OD2 C:PHD369 2.5 1.0 1.0 CG C:ASP710 2.5 83.3 1.0 P C:PHD369 2.6 0.6 1.0 OG1 C:THR371 2.6 0.3 1.0 C C:THR371 3.0 1.0 1.0 CG C:PHD369 3.2 0.8 1.0 OD1 C:PHD369 3.4 0.8 1.0 CA C:THR371 3.6 0.7 1.0 CB C:THR371 3.6 0.3 1.0 N C:THR371 3.6 0.7 1.0 OP1 C:PHD369 3.9 0.8 1.0 CB C:ASP710 4.0 82.4 1.0 N C:GLY372 4.1 86.6 1.0 O C:SER209 4.2 0.1 1.0 OG1 C:THR373 4.4 0.5 1.0 C C:LYS370 4.4 0.4 1.0 CA C:GLY372 4.5 85.3 1.0 ND2 C:ASN713 4.6 0.5 1.0 CB C:PHD369 4.6 0.2 1.0 N C:GLY711 4.7 0.5 1.0 CA C:GLY213 4.8 0.0 1.0 OD2 C:ASP714 4.8 0.5 1.0 N C:LYS370 4.8 0.4 1.0 CG2 C:THR371 4.9 0.4 1.0 C C:GLY372 4.9 84.3 1.0 N C:THR373 4.9 0.6 1.0 OD1 C:ASN713 4.9 0.2 1.0 OG C:SER209 4.9 0.4 1.0 N C:ASP710 4.9 81.2 1.0 CA C:ASP710 4.9 81.2 1.0 O C:LYS370 4.9 0.0 1.0

M.Laursen, J.L.Gregersen, L.Yatime, P.Nissen, N.U.Fedosova. Structures and Characterization of Digoxin- and Bufalin-Bound Na+,K+-Atpase Compared with the Ouabain-Bound Complex. Proc.Natl.Acad.Sci.Usa 2015.
ISSN: ESSN 1091-6490
PubMed: 25624492
DOI: 10.1073/PNAS.1422997112