Potassium in PDB 5a3s: Crystal Structure of the (Sr) Calcium Atpase E2-Vanadate Complex Bound to Thapsigargin and Tnp-Atp

All present enzymatic activity of Crystal Structure of the (Sr) Calcium Atpase E2-Vanadate Complex Bound to Thapsigargin and Tnp-Atp:
3.6.3.8;

The structure of Crystal Structure of the (Sr) Calcium Atpase E2-Vanadate Complex Bound to Thapsigargin and Tnp-Atp, PDB code: 5a3s 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)	78.91 / 3.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	130.556, 93.778, 135.692, 90.00, 107.26, 90.00
R / Rfree (%)	21.1 / 24.5

The structure of Crystal Structure of the (Sr) Calcium Atpase E2-Vanadate Complex Bound to Thapsigargin and Tnp-Atp also contains other interesting chemical elements:

Magnesium	(Mg)	4 atoms
Vanadium	(V)	2 atoms
Chlorine	(Cl)	2 atoms

The binding sites of Potassium atom in the Crystal Structure of the (Sr) Calcium Atpase E2-Vanadate Complex Bound to Thapsigargin and Tnp-Atp (pdb code 5a3s). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 2 binding sites of Potassium where determined in the Crystal Structure of the (Sr) Calcium Atpase E2-Vanadate Complex Bound to Thapsigargin and Tnp-Atp, PDB code: 5a3s:
Jump to Potassium binding site number: 1; 2;

Potassium binding site 1 out of 2 in the Crystal Structure of the (Sr) Calcium Atpase E2-Vanadate Complex Bound to Thapsigargin and Tnp-Atp


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Crystal Structure of the (Sr) Calcium Atpase E2-Vanadate Complex Bound to Thapsigargin and Tnp-Atp within 5.0Å range: probe atom residue distance (Å) B Occ A:K1008 b:94.5 occ:1.00 O A:LEU711 2.7 85.6 1.0 OE2 A:GLU732 2.8 0.2 1.0 OE1 A:GLN244 2.9 0.8 1.0 OE1 A:GLU732 2.9 90.4 1.0 O A:ALA714 2.9 85.9 1.0 CD A:GLU732 3.2 91.6 1.0 O A:LYS712 3.3 0.3 1.0 CD A:GLN244 3.5 0.7 1.0 NE2 A:GLN244 3.7 0.7 1.0 CA A:LYS712 3.7 49.6 1.0 C A:LYS712 3.7 79.3 1.0 C A:LEU711 3.8 73.6 1.0 N A:GLY717 4.1 65.6 1.0 C A:ALA714 4.1 80.7 1.0 N A:LYS712 4.3 67.8 1.0 O A:GLU715 4.4 90.0 1.0 C A:GLU715 4.5 78.7 1.0 CA A:GLY717 4.6 58.5 1.0 C A:ILE716 4.6 67.8 1.0 N A:ILE716 4.7 72.7 1.0 CG A:GLU732 4.7 75.2 1.0 CG A:GLN244 4.7 0.5 1.0 N A:ALA714 4.7 64.1 1.0 O A:ALA730 4.8 0.6 1.0 N A:LYS713 4.8 73.5 1.0 CA A:ILE716 4.8 69.4 1.0 CA A:ALA714 4.9 65.5 1.0 CB A:LYS712 4.9 52.3 1.0

Potassium binding site 2 out of 2 in the Crystal Structure of the (Sr) Calcium Atpase E2-Vanadate Complex Bound to Thapsigargin and Tnp-Atp


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Crystal Structure of the (Sr) Calcium Atpase E2-Vanadate Complex Bound to Thapsigargin and Tnp-Atp within 5.0Å range: probe atom residue distance (Å) B Occ B:K1008 b:0.8 occ:1.00 OE1 B:GLU732 2.8 0.5 1.0 O B:LEU711 2.8 0.2 1.0 OE1 B:GLN244 2.8 1.0 1.0 O B:ALA714 2.8 92.2 1.0 OE2 B:GLU732 2.8 0.1 1.0 CD B:GLU732 3.1 0.4 1.0 O B:LYS712 3.3 0.5 1.0 CD B:GLN244 3.6 1.0 1.0 NE2 B:GLN244 3.7 0.5 1.0 N B:GLY717 3.8 93.2 1.0 C B:ALA714 3.8 91.2 1.0 CA B:LYS712 3.8 0.9 1.0 C B:LYS712 3.9 0.2 1.0 C B:LEU711 3.9 0.7 1.0 C B:ILE716 4.1 0.5 1.0 C B:GLU715 4.1 99.9 1.0 N B:ILE716 4.1 84.6 1.0 O B:GLU715 4.2 0.5 1.0 CA B:GLY717 4.3 79.8 1.0 CA B:ILE716 4.3 90.9 1.0 N B:LYS712 4.4 0.8 1.0 CG B:GLU732 4.4 0.8 1.0 N B:ALA714 4.5 96.6 1.0 CA B:ALA714 4.6 91.4 1.0 O B:ILE716 4.7 0.4 1.0 N B:GLU715 4.7 92.6 1.0 CA B:GLU715 4.7 0.6 1.0 CB B:ALA714 4.9 85.6 1.0 O B:ALA730 5.0 76.0 1.0 N B:LYS713 5.0 94.1 1.0 CG B:GLN244 5.0 0.4 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