Magnesium in PDB 4xe5: Crystal Structure of the Na,K-Atpase From Bovine

All present enzymatic activity of Crystal Structure of the Na,K-Atpase From Bovine:
3.6.3.9;

The structure of Crystal Structure of the Na,K-Atpase From Bovine, PDB code: 4xe5 was solved by J.L.Gregersen, D.Mattle, N.U.Fedosova, P.Nissen, L.Reinhard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.74 / 3.90
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	64.750, 301.070, 242.290, 90.00, 90.00, 90.00
R / Rfree (%)	32.2 / 33.6

The structure of Crystal Structure of the Na,K-Atpase From Bovine also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

The binding sites of Magnesium atom in the Crystal Structure of the Na,K-Atpase From Bovine (pdb code 4xe5). 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 Na,K-Atpase From Bovine, PDB code: 4xe5:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of the Na,K-Atpase From Bovine


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 Na,K-Atpase From Bovine within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1101 b:89.7 occ:1.00 OD1 A:ASP715 2.0 0.2 1.0 OD2 A:BFD374 2.0 0.2 1.0 O A:HOH1204 2.1 91.6 1.0 O A:HOH1203 2.1 91.6 1.0 F2 A:BFD374 2.1 0.8 1.0 O A:THR376 2.1 0.9 1.0 CG A:BFD374 2.7 0.7 1.0 CG A:ASP715 2.9 0.1 1.0 OD1 A:BFD374 3.0 1.0 1.0 BE A:BFD374 3.0 0.2 1.0 OD2 A:ASP715 3.2 0.8 1.0 C A:THR376 3.3 0.5 1.0 OG1 A:THR376 3.4 0.7 1.0 OD2 A:ASP719 4.0 0.2 1.0 F3 A:BFD374 4.0 0.5 1.0 N A:THR376 4.1 0.8 1.0 CA A:THR376 4.1 0.6 1.0 F1 A:BFD374 4.1 0.0 1.0 CB A:BFD374 4.1 0.1 1.0 CB A:ASP715 4.2 0.3 1.0 N A:GLY716 4.3 1.0 1.0 OG1 A:THR378 4.3 0.9 1.0 CB A:THR376 4.3 0.9 1.0 N A:GLY377 4.4 0.6 1.0 N A:ASP715 4.4 0.1 1.0 ND2 A:ASN718 4.5 0.9 1.0 OD1 A:ASN718 4.6 0.1 1.0 O A:SER214 4.6 0.8 1.0 CA A:GLY377 4.6 99.7 1.0 C A:LYS375 4.7 0.1 1.0 N A:LYS375 4.8 0.0 1.0 CA A:ASP715 4.8 0.2 1.0 CG A:ASP719 4.9 0.7 1.0 CA A:GLY218 4.9 0.6 1.0 N A:THR378 5.0 99.1 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of the Na,K-Atpase From Bovine


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 Na,K-Atpase From Bovine within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1102 b:85.5 occ:1.00 OD1 A:ASP745 2.0 94.3 1.0 OD2 A:ASP745 2.1 93.0 1.0 CG A:ASP745 2.3 92.8 1.0 O A:LYS724 3.5 0.8 1.0 CA A:GLY277 3.8 0.9 1.0 CB A:ASP745 3.9 90.9 1.0 O A:GLY277 3.9 0.1 1.0 O A:ALA726 4.3 98.8 1.0 C A:GLY277 4.3 0.1 1.0 C A:LYS724 4.5 0.5 1.0 O A:ALA743 4.6 1.0 1.0 O A:LEU723 4.6 0.7 1.0 N A:ASP745 4.7 97.2 1.0 CA A:ASP745 4.7 97.5 1.0 CA A:LYS724 4.8 0.8 1.0 N A:GLY277 5.0 0.2 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of the Na,K-Atpase From Bovine


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 Na,K-Atpase From Bovine within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1103 b:97.1 occ:1.00 OE2 A:GLU784 2.0 69.9 1.0 O A:HOH1201 2.1 91.6 1.0 O A:HOH1205 2.1 91.6 1.0 O A:HOH1202 2.1 91.6 1.0 OD1 A:ASN781 2.1 70.9 1.0 OD1 A:ASP809 2.2 65.5 1.0 OD2 A:ASP809 2.6 67.2 1.0 CG A:ASP809 2.7 66.2 1.0 CD A:GLU784 3.0 68.3 1.0 CG A:ASN781 3.3 71.4 1.0 OE1 A:GLU784 3.3 67.0 1.0 OG A:SER780 3.7 68.8 1.0 ND2 A:ASN781 4.0 72.3 1.0 CB A:ASP809 4.1 66.0 1.0 CA A:ASN781 4.2 69.7 1.0 CG A:GLU784 4.3 68.1 1.0 CB A:ASN781 4.3 71.0 1.0 N A:ASN781 4.4 67.9 1.0 OE1 A:GLU332 4.4 70.2 1.0 OE2 A:GLU332 4.5 72.8 1.0 CA A:PRO331 4.5 75.5 1.0 O A:VAL330 4.6 74.6 1.0 CB A:GLU784 4.6 69.8 1.0 O A:THR777 4.7 70.7 1.0 C A:SER780 4.7 68.6 1.0 CD A:GLU332 4.8 72.1 1.0 CB A:SER780 4.8 67.4 1.0 CG2 A:THR777 4.9 71.9 1.0 O A:ALA328 5.0 76.0 1.0 O A:SER780 5.0 68.5 1.0

J.L.Gregersen, D.Mattle, N.U.Fedosova, P.Nissen, L.Reinhard. Isolation, Crystallization and Crystal Structure Determination of Bovine Kidney Na(+),K(+)-Atpase. Acta Crystallogr.,Sect.F V. 72 282 2016.
ISSN: ESSN 2053-230X
PubMed: 27050261
DOI: 10.1107/S2053230X1600279X