Vanadium 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
Potassium	(K)	2 atoms
Chlorine	(Cl)	2 atoms

The binding sites of Vanadium 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 Vanadium atom.
In total 2 binding sites of Vanadium 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 Vanadium binding site number: 1; 2;

Vanadium 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 Vanadium with other atoms in the V 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:V1001 b:95.2 occ:1.00 V A:VN41001 0.0 95.2 1.0 O2 A:VN41001 1.7 1.0 1.0 O1 A:VN41001 1.7 1.0 1.0 O3 A:VN41001 1.7 85.6 1.0 OD1 A:ASP351 2.1 0.7 1.0 O A:HOH2002 2.1 0.7 1.0 CG A:ASP351 2.9 92.3 1.0 OD2 A:ASP351 3.1 0.5 1.0 MG A:MG1003 3.5 92.8 1.0 O A:HOH2003 3.6 1.0 1.0 ND2 A:ASN706 4.0 58.6 1.0 N A:THR353 4.0 67.8 1.0 N A:GLY626 4.0 67.4 1.0 NZ A:LYS684 4.1 51.8 1.0 O A:GLY182 4.1 64.0 1.0 CB A:THR353 4.1 65.4 1.0 O A:THR353 4.1 68.1 1.0 N A:LYS352 4.3 44.2 1.0 O A:THR181 4.3 77.7 1.0 CA A:THR625 4.3 77.8 1.0 CA A:GLY182 4.3 67.4 1.0 CB A:ASP351 4.3 68.9 1.0 OE2 A:GLU183 4.5 96.6 1.0 CB A:THR625 4.5 82.9 1.0 C A:GLY182 4.5 66.2 1.0 CA A:THR353 4.5 57.7 1.0 O A:HOH2001 4.6 0.6 1.0 C A:THR625 4.7 75.9 1.0 C A:THR353 4.8 65.3 1.0 OG1 A:THR353 4.8 76.5 1.0 O A:ILE624 4.8 74.0 1.0 CA A:ASP351 4.9 55.9 1.0 C A:LYS352 4.9 68.9 1.0 CG2 A:THR625 5.0 0.8 1.0 OD2 A:ASP707 5.0 0.5 1.0

Vanadium 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 Vanadium with other atoms in the V 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:V1001 b:88.6 occ:1.00 V B:VN41001 0.0 88.6 1.0 O2 B:VN41001 1.7 0.0 1.0 O1 B:VN41001 1.7 92.3 1.0 O3 B:VN41001 1.7 0.0 1.0 O B:HOH2002 2.1 0.6 1.0 OD1 B:ASP351 2.1 65.9 1.0 CG B:ASP351 2.8 74.6 1.0 OD2 B:ASP351 2.9 87.1 1.0 O B:HOH2003 3.6 98.0 1.0 MG B:MG1003 3.6 0.9 1.0 OG1 B:THR625 3.9 93.7 1.0 N B:THR353 4.0 90.0 1.0 CA B:GLY182 4.0 45.5 1.0 N B:GLY626 4.0 83.2 1.0 OE2 B:GLU183 4.1 100.0 1.0 O B:THR181 4.1 73.4 1.0 O B:GLY182 4.1 58.0 1.0 O B:THR353 4.2 93.2 1.0 CB B:THR353 4.2 81.3 1.0 NZ B:LYS684 4.2 54.8 1.0 ND2 B:ASN706 4.3 55.8 1.0 N B:LYS352 4.3 90.0 1.0 CA B:THR625 4.3 82.8 1.0 CB B:ASP351 4.3 80.2 1.0 C B:GLY182 4.4 47.9 1.0 CB B:THR625 4.4 82.4 1.0 CA B:THR353 4.5 82.7 1.0 OG1 B:THR353 4.6 90.9 1.0 O B:HOH2001 4.6 91.9 1.0 C B:THR625 4.7 89.0 1.0 C B:LYS352 4.8 93.1 1.0 C B:THR353 4.8 78.6 1.0 C B:THR181 4.9 49.9 1.0 OD1 B:ASP707 4.9 1.0 1.0 CA B:ASP351 4.9 81.5 1.0 N B:GLY182 4.9 48.1 1.0 CA B:LYS352 5.0 93.0 1.0 O B:ILE624 5.0 85.3 1.0 CA B:GLY626 5.0 81.8 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