Chlorine in PDB 5hxe: Structural Mechanisms of Extracellular Ion Exchange and Induced Binding-Site Occlusion in the Sodium-Calcium Exchanger NCX_MJ Soaked with 100 Mm Na+ and Zero CA2+

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 Zero CA2+, PDB code: 5hxe 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)	26.99 / 2.29
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	49.765, 72.854, 96.356, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 23.9

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 Zero CA2+ also contains other interesting chemical elements:

Sodium

(Na)

4 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 Zero CA2+ (pdb code 5hxe). 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 Zero CA2+, PDB code: 5hxe:
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 Zero CA2+


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 Zero CA2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl416 b:43.1 occ:1.00 ND2 A:ASN38 3.2 32.6 1.0 N A:GLY227 3.3 33.6 1.0 CB A:ASN38 3.6 32.4 1.0 C A:LEU225 3.6 34.8 1.0 CA A:LEU225 3.6 32.1 1.0 CA A:GLY227 3.7 30.3 1.0 N A:GLY226 3.7 32.8 1.0 N A:MET228 3.8 30.6 1.0 CG A:ASN38 3.9 36.9 1.0 CB A:LEU225 4.1 31.1 1.0 O A:LEU225 4.2 33.2 1.0 CD2 A:LEU225 4.2 35.7 1.0 C A:GLY227 4.2 36.8 1.0 O A:HOH542 4.3 39.5 1.0 C A:GLY226 4.3 36.6 1.0 CA A:GLY226 4.6 31.4 1.0 O A:ASN224 4.7 39.1 1.0 CG A:LEU225 4.8 34.5 1.0 O A:HOH528 4.8 39.2 1.0 CB A:MET228 4.9 30.7 1.0 N A:LEU225 4.9 33.6 1.0 CA A:MET228 5.0 32.1 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 Zero CA2+


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 Zero CA2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl417 b:56.3 occ:1.00 N A:GLY68 3.2 39.0 1.0 CA A:ALA66 3.5 38.8 1.0 CA A:GLY68 3.5 33.1 1.0 C A:ALA66 3.6 37.6 1.0 N A:ILE69 3.8 39.4 1.0 CB A:ALA66 3.8 31.8 1.0 N A:PRO67 3.8 41.6 1.0 O A:GLY304 3.9 65.6 1.0 O A:ALA66 4.0 35.5 1.0 CD A:PRO67 4.0 43.6 1.0 O A:HOH541 4.1 68.9 1.0 C A:GLY68 4.2 39.8 1.0 CG1 A:ILE69 4.3 47.4 1.0 C A:PRO67 4.4 35.5 1.0 C A:GLY304 4.5 55.0 1.0 CA A:PRO67 4.7 36.3 1.0 O A:HIS65 4.8 43.4 1.0 N A:ALA66 4.8 43.5 1.0 CG A:PRO67 4.9 43.6 1.0 CB A:ILE69 4.9 37.0 1.0 CA A:ILE69 4.9 41.5 1.0 CD1 A:ILE69 5.0 61.1 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