Magnesium in PDB 4byg: Atpase Crystal Structure

The structure of Atpase Crystal Structure, PDB code: 4byg was solved by D.Mattle, N.D.Drachmann, X.Y.Liu, B.P.Pedersen, J.P.Morth, J.Wang, P.Gourdon, P.Nissen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	14.984 / 2.85
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	44.120, 72.910, 329.650, 90.00, 90.00, 90.00
R / Rfree (%)	23.21 / 28.73

The structure of Atpase Crystal Structure also contains other interesting chemical elements:

Fluorine	(F)	4 atoms
Aluminium	(Al)	1 atom
Potassium	(K)	1 atom

The binding sites of Magnesium atom in the Atpase Crystal Structure (pdb code 4byg). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Atpase Crystal Structure, PDB code: 4byg:

Magnesium binding site 1 out of 1 in the Atpase Crystal Structure


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Atpase Crystal Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg996 b:68.5 occ:1.00 F2 A:ALF995 1.7 92.4 1.0 O A:HOH2021 2.0 0.4 1.0 OD2 A:ASP426 2.1 78.9 1.0 OD1 A:ASP624 2.1 73.5 1.0 O A:HOH2015 2.2 91.1 1.0 O A:THR428 2.2 52.6 1.0 F3 A:ALF995 2.9 75.3 1.0 CG A:ASP624 3.1 68.1 1.0 AL A:ALF995 3.1 67.3 1.0 CG A:ASP426 3.2 75.0 1.0 C A:THR428 3.3 49.8 1.0 OD2 A:ASP624 3.4 66.2 1.0 OD1 A:ASP426 3.7 91.0 1.0 O A:GLY278 4.0 67.5 1.0 N A:GLY625 4.1 52.4 1.0 CA A:THR428 4.1 51.9 1.0 OD2 A:ASP628 4.1 51.1 1.0 CB A:THR428 4.2 55.7 1.0 F4 A:ALF995 4.2 35.1 1.0 O A:HOH2014 4.2 63.3 1.0 N A:GLY429 4.3 50.3 1.0 N A:THR428 4.4 57.1 1.0 CB A:ASP624 4.4 62.0 1.0 CA A:GLY625 4.5 61.2 1.0 CB A:ASP426 4.5 58.5 1.0 N A:ASP624 4.5 56.6 1.0 C A:ASP624 4.5 51.3 1.0 CA A:GLY429 4.5 58.4 1.0 CA A:ASP624 4.7 58.0 1.0 F1 A:ALF995 4.8 44.5 1.0 CA A:GLY278 4.8 78.1 1.0 C A:GLY278 4.8 77.0 1.0

D.Mattle, N.D.Drachmann, X.Y.Liu, B.P.Pedersen, J.P.Morth, J.Wang, P.Gourdon, P.Nissen. Dephosphorylation of Pib-Type Cu(I)-Atpases As Studied By Metallofluoride Complexes To Be Published.