Chlorine 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
Vanadium	(V)	2 atoms

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

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl1009 b:74.2 occ:1.00 N A:LYS629 3.1 77.0 1.0 CD A:ARG678 3.4 63.8 1.0 CA A:ASN628 3.6 56.0 1.0 CB A:LYS629 3.8 80.8 1.0 C A:ASN628 3.9 65.1 1.0 ND2 A:ASN628 3.9 59.5 1.0 CB A:ASN628 3.9 45.5 1.0 CB A:ARG678 4.1 49.7 1.0 CA A:LYS629 4.1 71.0 1.0 CG A:ASN628 4.3 69.1 1.0 CG A:ARG678 4.3 56.8 1.0 NE A:ARG678 4.5 71.3 1.0 CG2 A:THR654 4.6 63.6 1.0 NH1 A:ARG678 4.6 92.9 1.0 N A:ASN628 4.9 53.6 1.0 CZ A:ARG678 5.0 79.0 1.0 O A:ASP627 5.0 62.3 1.0

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl1009 b:74.1 occ:1.00 N B:LYS629 3.1 88.2 1.0 CD B:ARG678 3.5 80.8 1.0 CB B:LYS629 3.6 96.1 1.0 CA B:ASN628 3.8 78.7 1.0 C B:ASN628 3.9 84.6 1.0 CA B:LYS629 4.0 93.6 1.0 CB B:ASN628 4.0 89.3 1.0 ND2 B:ASN628 4.1 1.0 1.0 CG2 B:THR654 4.2 70.4 1.0 CB B:ARG678 4.3 75.6 1.0 NE B:ARG678 4.4 77.3 1.0 CG B:ARG678 4.6 74.6 1.0 CG B:ASN628 4.6 0.8 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