Magnesium in PDB 3b9r: Serca CA2+-Atpase E2 Aluminium Fluoride Complex Without Thapsigargin

All present enzymatic activity of Serca CA2+-Atpase E2 Aluminium Fluoride Complex Without Thapsigargin:
3.6.3.8;

The structure of Serca CA2+-Atpase E2 Aluminium Fluoride Complex Without Thapsigargin, PDB code: 3b9r was solved by C.Olesen, M.Picard, A.M.L.Winther, J.P.Morth, J.V.Moller, P.Nissen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.99 / 3.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	131.980, 94.430, 136.180, 90.00, 107.79, 90.00
R / Rfree (%)	18.5 / 23.5

The structure of Serca CA2+-Atpase E2 Aluminium Fluoride Complex Without Thapsigargin also contains other interesting chemical elements:

Fluorine	(F)	8 atoms
Aluminium	(Al)	2 atoms
Potassium	(K)	2 atoms

The binding sites of Magnesium atom in the Serca CA2+-Atpase E2 Aluminium Fluoride Complex Without Thapsigargin (pdb code 3b9r). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Serca CA2+-Atpase E2 Aluminium Fluoride Complex Without Thapsigargin, PDB code: 3b9r:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Serca CA2+-Atpase E2 Aluminium Fluoride Complex Without Thapsigargin


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Serca CA2+-Atpase E2 Aluminium Fluoride Complex Without Thapsigargin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg996 b:23.8 occ:1.00 O A:HOH999 2.3 41.4 1.0 F4 A:ALF995 2.3 47.6 1.0 O A:THR353 2.3 50.5 1.0 OD2 A:ASP351 2.3 55.4 1.0 OD2 A:ASP703 2.4 45.6 1.0 O A:HOH1000 2.5 68.8 1.0 CG A:ASP351 3.0 49.5 1.0 OD1 A:ASP351 3.0 54.5 1.0 F2 A:ALF995 3.4 18.5 1.0 C A:THR353 3.5 48.9 1.0 CG A:ASP703 3.5 69.6 1.0 AL A:ALF995 3.6 50.2 1.0 OD2 A:ASP707 3.9 58.2 1.0 O A:GLY182 4.0 51.2 1.0 OD1 A:ASP703 4.1 83.7 1.0 N A:GLY704 4.1 47.6 1.0 CA A:THR353 4.3 38.0 1.0 N A:THR353 4.3 52.9 1.0 CB A:ASP351 4.4 42.4 1.0 CB A:THR353 4.4 41.8 1.0 O A:HOH1001 4.4 58.6 1.0 CA A:GLY704 4.5 64.4 1.0 N A:ASP703 4.5 74.9 1.0 N A:GLY354 4.6 51.9 1.0 C A:ASP703 4.6 53.0 1.0 OG1 A:THR355 4.6 44.2 1.0 F1 A:ALF995 4.6 49.3 1.0 CA A:GLY182 4.7 25.7 1.0 CB A:ASP703 4.7 71.4 1.0 CG2 A:THR353 4.8 34.3 1.0 C A:GLY182 4.8 50.2 1.0 CA A:ASP703 4.8 62.9 1.0 CA A:GLY354 4.8 44.8 1.0 CG A:ASP707 4.9 59.2 1.0 OD1 A:ASN706 5.0 19.6 1.0

Magnesium binding site 2 out of 2 in the Serca CA2+-Atpase E2 Aluminium Fluoride Complex Without Thapsigargin


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Serca CA2+-Atpase E2 Aluminium Fluoride Complex Without Thapsigargin within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg996 b:43.1 occ:1.00 OD2 B:ASP703 2.1 73.0 1.0 F2 B:ALF995 2.2 50.6 1.0 O B:HOH999 2.3 46.7 1.0 OD2 B:ASP351 2.4 56.2 1.0 O B:THR353 2.4 57.8 1.0 O B:HOH1000 2.5 49.1 1.0 CG B:ASP351 3.2 66.5 1.0 CG B:ASP703 3.3 82.0 1.0 OD1 B:ASP351 3.5 69.0 1.0 C B:THR353 3.5 62.0 1.0 AL B:ALF995 3.7 69.7 1.0 OD1 B:ASP703 3.9 78.9 1.0 F3 B:ALF995 4.0 42.6 1.0 CG2 B:THR355 4.1 40.3 1.0 N B:GLY704 4.1 58.7 1.0 OD2 B:ASP707 4.1 81.6 1.0 CB B:THR353 4.2 53.1 1.0 O B:GLY182 4.2 56.8 1.0 CA B:THR353 4.3 52.9 1.0 F4 B:ALF995 4.3 61.1 1.0 N B:ASP703 4.3 74.3 1.0 CB B:ASP703 4.4 90.9 1.0 N B:GLY354 4.4 71.8 1.0 N B:THR353 4.5 70.3 1.0 CA B:GLY354 4.6 64.3 1.0 CA B:GLY182 4.6 58.5 1.0 CA B:ASP703 4.6 73.3 1.0 CB B:ASP351 4.6 69.6 1.0 C B:ASP703 4.6 70.0 1.0 CA B:GLY704 4.6 73.5 1.0 N B:THR355 4.7 56.6 1.0 CG2 B:THR353 4.8 57.2 1.0 C B:GLY182 4.9 55.1 1.0 C B:LYS352 4.9 70.4 1.0 C B:GLY354 5.0 67.2 1.0

C.Olesen, M.Picard, A.M.L.Winther, C.Gyrup, J.P.Morth, C.Oxvig, J.V.Moller, P.Nissen. The Structural Basis of Calcium Transport By the Calcium Pump Nature V. 450 1036 2007.
ISSN: ISSN 0028-0836
PubMed: 18075584
DOI: 10.1038/NATURE06418