Magnesium in PDB 3b9b: Structure of the E2 Beryllium Fluoride Complex of the Serca CA2+-Atpase

All present enzymatic activity of Structure of the E2 Beryllium Fluoride Complex of the Serca CA2+-Atpase:
3.6.3.8;

The structure of Structure of the E2 Beryllium Fluoride Complex of the Serca CA2+-Atpase, PDB code: 3b9b 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)	29.35 / 2.65
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.600, 114.600, 229.300, 90.00, 90.00, 90.00
R / Rfree (%)	21.4 / 27.1

The structure of Structure of the E2 Beryllium Fluoride Complex of the Serca CA2+-Atpase also contains other interesting chemical elements:

Fluorine	(F)	3 atoms
Sodium	(Na)	1 atom

The binding sites of Magnesium atom in the Structure of the E2 Beryllium Fluoride Complex of the Serca CA2+-Atpase (pdb code 3b9b). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure of the E2 Beryllium Fluoride Complex of the Serca CA2+-Atpase, PDB code: 3b9b:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of the E2 Beryllium Fluoride Complex of the Serca CA2+-Atpase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of the E2 Beryllium Fluoride Complex of the Serca CA2+-Atpase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg996 b:13.8 occ:1.00 F2 A:BEF998 2.3 45.8 1.0 O A:HOH1000 2.3 24.4 1.0 OD1 A:ASP703 2.3 24.6 1.0 OD1 A:ASP351 2.4 24.3 1.0 O A:THR353 2.4 15.3 1.0 O A:HOH999 2.4 24.5 1.0 OD2 A:ASP351 2.8 25.5 1.0 CG A:ASP351 2.9 27.1 1.0 BE A:BEF998 3.0 38.0 1.0 CG A:ASP703 3.4 36.4 1.0 C A:THR353 3.5 15.3 1.0 OD2 A:ASP703 3.8 33.8 1.0 F3 A:BEF998 3.9 35.0 1.0 F1 A:BEF998 3.9 30.7 1.0 OD2 A:ASP707 3.9 38.0 1.0 CA A:THR353 4.1 7.2 1.0 CB A:THR353 4.1 10.8 1.0 N A:THR353 4.1 14.0 1.0 OG1 A:THR355 4.2 30.9 1.0 CB A:ASP351 4.2 16.4 1.0 N A:GLY704 4.3 31.3 1.0 CA A:GLY182 4.5 23.4 1.0 O A:SER178 4.5 32.2 1.0 OD1 A:ASN706 4.5 20.2 1.0 N A:GLY354 4.6 17.3 1.0 CB A:ASP703 4.7 34.9 1.0 C A:LYS352 4.7 21.6 1.0 N A:ASP703 4.7 26.1 1.0 CG A:ASP707 4.8 37.6 1.0 N A:THR355 4.8 16.3 1.0 CA A:GLY704 4.8 22.9 1.0 OD1 A:ASP707 4.8 32.1 1.0 CA A:GLY354 4.9 12.0 1.0 N A:LYS352 4.9 16.2 1.0 OG1 A:THR353 5.0 18.6 1.0

Magnesium binding site 2 out of 2 in the Structure of the E2 Beryllium Fluoride Complex of the Serca CA2+-Atpase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of the E2 Beryllium Fluoride Complex of the Serca CA2+-Atpase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg997 b:98.0 occ:1.00 OE2 A:GLU90 2.5 1.0 1.0 O A:HOH1062 2.6 74.5 1.0 OE2 A:GLU309 2.6 81.3 1.0 O A:HOH1063 2.7 74.1 1.0 O A:VAL304 3.4 74.0 1.0 CD A:GLU90 3.6 0.7 1.0 CD A:GLU309 3.7 74.1 1.0 CG1 A:VAL304 3.7 86.7 1.0 O A:HOH1061 4.1 58.7 1.0 CG A:GLU309 4.1 64.6 1.0 OE1 A:GLU90 4.1 0.5 1.0 C A:VAL304 4.1 62.4 1.0 CA A:ALA305 4.3 55.2 1.0 N A:ALA305 4.6 53.3 1.0 CG A:GLU90 4.7 0.9 1.0 OE1 A:GLU309 4.8 74.7 1.0 O A:ILE307 4.8 69.2 1.0 CB A:VAL304 4.9 80.0 1.0 O A:ALA305 5.0 57.8 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