Magnesium in PDB 6zhf: Calcium Atpase-1 From Listeria Monocytogenes in Complex with Bef

The structure of Calcium Atpase-1 From Listeria Monocytogenes in Complex with Bef, PDB code: 6zhf was solved by S.Basse Hansen, M.Dyla, C.Neumann, E.M.H.Quistgaard, J.Lauwring Andersen, M.Kjaergaard, P.Nissen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.39 / 4.00
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	69.05, 143.857, 153.856, 90, 90, 90
R / Rfree (%)	23.2 / 28

The structure of Calcium Atpase-1 From Listeria Monocytogenes in Complex with Bef also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

The binding sites of Magnesium atom in the Calcium Atpase-1 From Listeria Monocytogenes in Complex with Bef (pdb code 6zhf). 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 Calcium Atpase-1 From Listeria Monocytogenes in Complex with Bef, PDB code: 6zhf:

Magnesium binding site 1 out of 1 in the Calcium Atpase-1 From Listeria Monocytogenes in Complex with Bef


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Calcium Atpase-1 From Listeria Monocytogenes in Complex with Bef within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg901 b:136.7 occ:1.00 F1 A:BEF902 1.7 131.5 1.0 OD2 A:ASP334 1.9 219.1 1.0 O A:HOH1001 2.0 129.1 1.0 O A:THR336 2.1 186.5 1.0 OD1 A:ASP623 2.1 206.2 1.0 O A:HOH1002 2.3 115.7 1.0 BE A:BEF902 2.8 127.7 1.0 CG A:ASP334 2.9 208.4 1.0 CG A:ASP623 3.2 194.8 1.0 OD1 A:ASP334 3.2 221.0 1.0 C A:THR336 3.3 141.7 1.0 OD2 A:ASP623 3.6 194.8 1.0 F2 A:BEF902 3.7 122.2 1.0 CA A:THR336 4.0 104.2 1.0 N A:THR336 4.0 126.6 1.0 F3 A:BEF902 4.0 151.7 1.0 CB A:THR336 4.0 107.8 1.0 CB A:ASP334 4.2 151.9 1.0 N A:GLY624 4.2 150.8 1.0 OD2 A:ASP627 4.3 192.8 1.0 N A:GLY337 4.3 150.1 1.0 N A:ASP623 4.4 125.5 1.0 CB A:ASP623 4.5 176.5 1.0 O A:GLY166 4.6 114.6 1.0 CA A:GLY337 4.6 155.9 1.0 CG2 A:THR336 4.6 139.4 1.0 OG1 A:THR338 4.7 120.7 1.0 CA A:ASP623 4.8 152.5 1.0 OD1 A:ASN626 4.8 145.2 1.0 CA A:GLY624 4.9 168.8 1.0 C A:ASP623 4.9 153.2 1.0 CA A:GLY166 5.0 140.8 1.0 N A:THR338 5.0 114.2 1.0

S.Basse Hansen, M.Dyla, C.Neumann, E.Meldgaard Hoegh Quistgaard, J.Lauwring Andersen, M.Kjaergaard, P.Nissen. The Crystal Structure of the Ca 2+ -Atpase 1 From Listeria Monocytogenes Reveals A Pump Primed For Dephosphorylation. J.Mol.Biol. 67015 2021.
ISSN: ESSN 1089-8638
PubMed: 33933469
DOI: 10.1016/J.JMB.2021.167015