Chlorine in PDB 6yso: Crystal Structure of the (Sr) CA2+-Atpase Solved By Vanadium Sad Phasing

All present enzymatic activity of Crystal Structure of the (Sr) CA2+-Atpase Solved By Vanadium Sad Phasing:
7.2.2.10;

The structure of Crystal Structure of the (Sr) CA2+-Atpase Solved By Vanadium Sad Phasing, PDB code: 6yso was solved by K.El Omari, N.Mohamad, K.Bountra, R.Duman, M.Romano, K.Schlegel, H.Kwong, V.Mykhaylyk, C.E.Olesen, J.V.Moller, M.Bublitz, K.Beis, A.Wagner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	64.59 / 3.13
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	131.140, 94.390, 135.110, 90.00, 107.05, 90.00
R / Rfree (%)	20.1 / 25.9

The structure of Crystal Structure of the (Sr) CA2+-Atpase Solved By Vanadium Sad Phasing 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) CA2+-Atpase Solved By Vanadium Sad Phasing (pdb code 6yso). 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) CA2+-Atpase Solved By Vanadium Sad Phasing, PDB code: 6yso:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the (Sr) CA2+-Atpase Solved By Vanadium Sad Phasing


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) CA2+-Atpase Solved By Vanadium Sad Phasing within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1005 b:80.0 occ:1.00 N A:LYS629 3.2 81.5 1.0 CG A:ARG678 3.4 66.3 1.0 CB A:LYS629 3.7 85.8 1.0 CA A:ASN628 3.9 92.8 1.0 C A:ASN628 4.0 81.4 1.0 CA A:LYS629 4.0 71.4 1.0 NE A:ARG678 4.1 72.3 1.0 ND2 A:ASN628 4.1 0.8 1.0 CB A:ASN628 4.2 0.3 1.0 CD A:ARG678 4.2 54.2 1.0 CB A:ARG678 4.4 73.0 1.0 CG2 A:THR654 4.5 64.0 1.0 CG A:ASN628 4.6 0.9 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the (Sr) CA2+-Atpase Solved By Vanadium Sad Phasing


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) CA2+-Atpase Solved By Vanadium Sad Phasing within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl2005 b:94.8 occ:1.00 N B:LYS629 3.0 86.3 1.0 CB B:LYS629 3.5 95.1 1.0 CD B:ARG678 3.5 65.3 1.0 CA B:ASN628 3.8 87.6 1.0 CA B:LYS629 3.9 81.9 1.0 C B:ASN628 3.9 89.8 1.0 CB B:ASN628 4.0 0.7 1.0 CG2 B:THR654 4.2 89.8 1.0 NE B:ARG678 4.4 65.9 1.0 ND2 B:ASN628 4.4 0.2 1.0 CB B:ARG678 4.4 66.3 1.0 CG B:ASN628 4.6 0.5 1.0 CG B:ARG678 4.6 63.9 1.0 N B:GLY630 4.8 94.1 1.0 CG B:LYS629 4.9 87.7 1.0 C B:LYS629 5.0 92.4 1.0

K.El Omari, N.Mohamad, K.Bountra, R.Duman, M.Romano, K.Schlegel, H.S.Kwong, V.Mykhaylyk, C.Olesen, J.V.Moller, M.Bublitz, K.Beis, A.Wagner. Experimental Phasing with Vanadium and Application to Nucleotide-Binding Membrane Proteins. Iucrj V. 7 1092 2020.
ISSN: ESSN 2052-2525
PubMed: 33209320
DOI: 10.1107/S2052252520012312