Chlorine in PDB 4nsd: Crystal Structure of CBARA1 in the CA2+ Binding Form

The structure of Crystal Structure of CBARA1 in the CA2+ Binding Form, PDB code: 4nsd was solved by L.Wang, X.Yang, S.Li, Y.Shen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.38 / 2.70
Space group	I 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	99.283, 105.804, 156.851, 90.00, 90.00, 90.00
R / Rfree (%)	21.2 / 28.2

The structure of Crystal Structure of CBARA1 in the CA2+ Binding Form also contains other interesting chemical elements:

Calcium

(Ca)

4 atoms

The binding sites of Chlorine atom in the Crystal Structure of CBARA1 in the CA2+ Binding Form (pdb code 4nsd). 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 CBARA1 in the CA2+ Binding Form, PDB code: 4nsd:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of CBARA1 in the CA2+ Binding Form


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 CBARA1 in the CA2+ Binding Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:0.5 occ:0.50 O A:LYS228 3.6 53.5 1.0 O A:ASP231 3.7 62.0 1.0 O A:MET229 4.2 76.8 1.0 CA A:MET229 4.3 60.4 1.0 C A:LYS228 4.4 56.6 1.0 C A:MET229 4.5 68.7 1.0 O A:LEU232 4.6 63.2 1.0 C A:ASP231 4.6 58.8 1.0 N A:MET229 4.7 53.8 1.0 CA A:LEU232 4.7 59.0 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of CBARA1 in the CA2+ Binding Form


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 CBARA1 in the CA2+ Binding Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl506 b:68.2 occ:1.00 O B:TYR281 4.6 61.7 1.0 CZ B:PHE211 4.6 42.9 1.0 CB B:PHE299 4.7 43.9 1.0 CD1 B:PHE299 4.7 46.7 1.0 CG B:PHE299 4.7 51.8 1.0 O B:ASN295 4.9 44.9 1.0 CD2 B:LEU291 4.9 37.6 1.0 CA B:PHE296 5.0 42.9 1.0

L.Wang, X.Yang, S.Li, Z.Wang, Y.Liu, J.Feng, Y.Zhu, Y.Shen. Structural and Mechanistic Insights Into MICU1 Regulation of Mitochondrial Calcium Uptake. Embo J. V. 33 594 2014.
ISSN: ISSN 0261-4189
PubMed: 24514027
DOI: 10.1002/EMBJ.201386523