Magnesium in PDB 5a3r: Crystal Structure of the (Sr) Calcium Atpase E2.BEF3- Complex Bound to Tnp-Amppcp

All present enzymatic activity of Crystal Structure of the (Sr) Calcium Atpase E2.BEF3- Complex Bound to Tnp-Amppcp:
3.6.3.8;

The structure of Crystal Structure of the (Sr) Calcium Atpase E2.BEF3- Complex Bound to Tnp-Amppcp, PDB code: 5a3r was solved by J.D.Clausen, M.Bublitz, B.Arnou, C.Olesen, J.P.Andersen, J.V.Moller, P.Nissen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	57.48 / 3.05
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.530, 114.967, 227.699, 90.00, 90.00, 90.00
R / Rfree (%)	21.4 / 25.7

The structure of Crystal Structure of the (Sr) Calcium Atpase E2.BEF3- Complex Bound to Tnp-Amppcp also contains other interesting chemical elements:

Fluorine	(F)	3 atoms
Potassium	(K)	1 atom

The binding sites of Magnesium atom in the Crystal Structure of the (Sr) Calcium Atpase E2.BEF3- Complex Bound to Tnp-Amppcp (pdb code 5a3r). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of the (Sr) Calcium Atpase E2.BEF3- Complex Bound to Tnp-Amppcp, PDB code: 5a3r:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of the (Sr) Calcium Atpase E2.BEF3- Complex Bound to Tnp-Amppcp


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 (Sr) Calcium Atpase E2.BEF3- Complex Bound to Tnp-Amppcp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1007 b:0.2 occ:1.00 O2B A:DL51000 2.0 0.6 1.0 O A:HOH2005 2.1 84.8 1.0 O A:HOH2004 2.1 79.8 1.0 O1G A:DL51000 2.2 0.9 1.0 PB A:DL51000 3.3 0.3 1.0 PG A:DL51000 3.5 0.2 1.0 C01 A:DL51000 3.8 0.4 1.0 O3A A:DL51000 4.2 0.6 1.0 O1B A:DL51000 4.3 0.9 1.0 O2G A:DL51000 4.3 0.5 1.0 O3G A:DL51000 4.4 0.0 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of the (Sr) Calcium Atpase E2.BEF3- Complex Bound to Tnp-Amppcp


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 (Sr) Calcium Atpase E2.BEF3- Complex Bound to Tnp-Amppcp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1008 b:0.4 occ:1.00 OE1 A:GLU309 2.1 0.4 1.0 OE2 A:GLU90 2.1 0.7 1.0 CD A:GLU90 3.0 0.3 1.0 CD A:GLU309 3.0 0.4 1.0 OE2 A:GLU309 3.3 0.5 1.0 OE1 A:GLU90 3.4 0.3 1.0 CG A:GLU90 4.2 0.5 1.0 O A:VAL304 4.4 0.8 1.0 CG A:GLU309 4.4 0.5 1.0 CA A:ALA305 4.7 0.4 1.0 CB A:GLU309 4.8 0.6 1.0 O A:ILE307 4.9 0.1 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of the (Sr) Calcium Atpase E2.BEF3- Complex Bound to Tnp-Amppcp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of the (Sr) Calcium Atpase E2.BEF3- Complex Bound to Tnp-Amppcp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1009 b:0.1 occ:1.00 OD2 A:BFD351 1.7 0.3 1.0 O A:HOH2001 2.1 45.9 1.0 F3 A:BFD351 2.1 61.6 1.0 OD1 A:ASP703 2.1 73.1 1.0 O A:THR353 2.2 63.7 1.0 O A:HOH2002 2.2 0.3 1.0 CG A:BFD351 2.7 78.2 1.0 BE A:BFD351 3.1 65.4 1.0 OD1 A:BFD351 3.1 76.0 1.0 CG A:ASP703 3.3 70.7 1.0 OD2 A:ASP707 3.3 91.6 1.0 C A:THR353 3.4 62.5 1.0 OD2 A:ASP703 3.8 60.4 1.0 OG1 A:THR355 4.0 59.9 1.0 CB A:BFD351 4.0 58.6 1.0 F1 A:BFD351 4.0 52.5 1.0 N A:GLY704 4.0 65.3 1.0 F2 A:BFD351 4.1 67.0 1.0 CA A:THR353 4.3 67.1 1.0 N A:THR353 4.3 61.3 1.0 N A:GLY354 4.3 50.9 1.0 N A:ASP703 4.4 59.6 1.0 CA A:GLY354 4.4 65.2 1.0 CG A:ASP707 4.4 83.8 1.0 CB A:ASP703 4.5 53.9 1.0 N A:THR355 4.5 61.1 1.0 CB A:THR353 4.6 49.9 1.0 CA A:GLY704 4.6 63.7 1.0 OD1 A:ASN706 4.7 56.2 1.0 C A:LYS352 4.7 64.5 1.0 O A:SER178 4.8 53.2 1.0 C A:GLY354 4.8 67.6 1.0 CA A:ASP703 4.8 54.0 1.0 OD1 A:ASP707 4.8 79.4 1.0 C A:ASP703 4.8 54.9 1.0 N A:LYS352 4.8 64.4 1.0 CA A:GLY182 4.9 55.5 1.0 CB A:THR355 5.0 56.0 1.0

J.D.Clausen, M.Bublitz, B.Arnou, C.Olesen, J.P.Andersen, J.V.Moller, P.Nissen. Crystal Structure of the Vanadate-Inhibited Ca(2+)-Atpase. Structure V. 24 617 2016.
ISSN: ISSN 0969-2126
PubMed: 27050689
DOI: 10.1016/J.STR.2016.02.018