Chlorine in PDB 5jdq: Structural Mechanisms of Extracellular Ion Exchange and Induced Binding-Site Occlusion in the Sodium-Calcium Exchanger NCX_MJ Soaked with 100 Mm Na+ and 10MM SR2+

The structure of Structural Mechanisms of Extracellular Ion Exchange and Induced Binding-Site Occlusion in the Sodium-Calcium Exchanger NCX_MJ Soaked with 100 Mm Na+ and 10MM SR2+, PDB code: 5jdq was solved by J.Liao, Y.X.Jiang, J.D.Faraldo-Gomez, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.21 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	49.876, 72.425, 95.913, 90.00, 90.00, 90.00
R / Rfree (%)	21.4 / 24.2

The structure of Structural Mechanisms of Extracellular Ion Exchange and Induced Binding-Site Occlusion in the Sodium-Calcium Exchanger NCX_MJ Soaked with 100 Mm Na+ and 10MM SR2+ also contains other interesting chemical elements:

Strontium	(Sr)	1 atom
Sodium	(Na)	3 atoms

The binding sites of Chlorine atom in the Structural Mechanisms of Extracellular Ion Exchange and Induced Binding-Site Occlusion in the Sodium-Calcium Exchanger NCX_MJ Soaked with 100 Mm Na+ and 10MM SR2+ (pdb code 5jdq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structural Mechanisms of Extracellular Ion Exchange and Induced Binding-Site Occlusion in the Sodium-Calcium Exchanger NCX_MJ Soaked with 100 Mm Na+ and 10MM SR2+, PDB code: 5jdq:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structural Mechanisms of Extracellular Ion Exchange and Induced Binding-Site Occlusion in the Sodium-Calcium Exchanger NCX_MJ Soaked with 100 Mm Na+ and 10MM SR2+


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structural Mechanisms of Extracellular Ion Exchange and Induced Binding-Site Occlusion in the Sodium-Calcium Exchanger NCX_MJ Soaked with 100 Mm Na+ and 10MM SR2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:57.1 occ:0.95 ND2 A:ASN38 3.1 51.5 1.0 N A:GLY227 3.4 48.2 1.0 CB A:ASN38 3.7 48.3 1.0 CA A:LEU225 3.7 49.0 1.0 C A:LEU225 3.8 48.8 1.0 CA A:GLY227 3.8 41.5 1.0 CG A:ASN38 3.9 51.8 1.0 N A:GLY226 3.9 48.4 1.0 N A:MET228 4.0 45.5 1.0 CD2 A:LEU225 4.1 51.6 1.0 CB A:LEU225 4.2 47.9 1.0 O A:LEU225 4.3 46.4 1.0 C A:GLY227 4.4 46.8 1.0 C A:GLY226 4.5 49.2 1.0 O A:HOH513 4.6 55.9 1.0 O A:ASN224 4.6 51.5 1.0 CA A:GLY226 4.7 44.9 1.0 CG A:LEU225 4.8 51.4 1.0 N A:LEU225 5.0 46.9 1.0

Chlorine binding site 2 out of 2 in the Structural Mechanisms of Extracellular Ion Exchange and Induced Binding-Site Occlusion in the Sodium-Calcium Exchanger NCX_MJ Soaked with 100 Mm Na+ and 10MM SR2+


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structural Mechanisms of Extracellular Ion Exchange and Induced Binding-Site Occlusion in the Sodium-Calcium Exchanger NCX_MJ Soaked with 100 Mm Na+ and 10MM SR2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl406 b:67.8 occ:0.80 N A:GLY68 3.2 53.5 1.0 CA A:ALA66 3.5 53.8 1.0 C A:ALA66 3.5 56.6 1.0 CA A:GLY68 3.6 48.1 1.0 CB A:ALA66 3.8 52.3 1.0 N A:PRO67 3.8 56.4 1.0 N A:ILE69 3.8 53.1 1.0 CD A:PRO67 3.9 58.7 1.0 O A:ALA66 4.0 56.9 1.0 C A:GLY68 4.2 51.3 1.0 C A:PRO67 4.4 51.2 1.0 CG1 A:ILE69 4.4 62.6 1.0 CA A:PRO67 4.7 52.8 1.0 CG A:PRO67 4.7 53.5 1.0 N A:ALA66 4.8 61.7 1.0 O A:HIS65 4.8 57.3 1.0

J.Liao, F.Marinelli, C.Lee, Y.Huang, J.D.Faraldo-Gomez, Y.Jiang. Mechanism of Extracellular Ion Exchange and Binding-Site Occlusion in A Sodium/Calcium Exchanger. Nat.Struct.Mol.Biol. V. 23 590 2016.
ISSN: ESSN 1545-9985
PubMed: 27183196
DOI: 10.1038/NSMB.3230