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

The structure of Structural Mechanisms of Extracellular Ion Exchange and Induced Binding-Site Occlusion in the Sodium-Calcium Exchanger NCX_MJ Soaked with Zero Na+ and CA2+, PDB code: 5hxh 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)	34.96 / 2.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	164.177, 46.827, 96.963, 90.00, 106.20, 90.00
R / Rfree (%)	20.3 / 26.4

The binding sites of Calcium atom in the Structural Mechanisms of Extracellular Ion Exchange and Induced Binding-Site Occlusion in the Sodium-Calcium Exchanger NCX_MJ Soaked with Zero Na+ and CA2+ (pdb code 5hxh). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Structural Mechanisms of Extracellular Ion Exchange and Induced Binding-Site Occlusion in the Sodium-Calcium Exchanger NCX_MJ Soaked with Zero Na+ and CA2+, PDB code: 5hxh:
Jump to Calcium binding site number: 1; 2;

Calcium 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 Zero Na+ and CA2+


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca 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 Zero Na+ and CA2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:63.2 occ:1.00 OD1 A:ASP121 2.5 55.8 1.0 OD2 A:ASP127 2.5 35.1 1.0 O A:ILE118 3.0 45.8 1.0 CG A:ASP121 3.3 61.4 1.0 O A:GLY122 3.4 47.6 1.0 OD2 A:ASP121 3.4 59.3 1.0 CG A:ASP127 3.4 41.5 1.0 O A:HOH521 3.4 37.2 1.0 OD1 A:ASP127 3.6 46.6 1.0 C A:GLY122 4.0 41.2 1.0 C A:ILE118 4.1 38.7 1.0 OG A:SER124 4.2 46.3 0.5 N A:SER124 4.4 39.1 1.0 CA A:PHE123 4.5 39.1 1.0 N A:GLY122 4.5 38.6 1.0 N A:PHE123 4.5 39.4 1.0 O A:HOH511 4.6 39.6 1.0 OG A:SER124 4.6 46.3 0.5 CB A:ASP121 4.6 48.6 1.0 CB A:ASP127 4.8 38.4 1.0 CA A:GLY122 4.8 41.1 1.0 CA A:ILE118 4.9 34.5 1.0 CB A:ILE118 4.9 38.3 1.0 C A:PHE123 4.9 39.0 1.0 C A:ASP121 5.0 42.2 1.0 CB A:SER124 5.0 42.0 0.5

Calcium 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 Zero Na+ and CA2+


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca 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 Zero Na+ and CA2+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca401 b:63.7 occ:1.00 OD1 B:ASP121 2.4 59.6 1.0 O B:ILE118 2.5 41.3 1.0 OD2 B:ASP127 2.5 56.7 1.0 OD2 B:ASP121 2.7 76.6 1.0 CG B:ASP121 2.9 66.8 1.0 CG B:ASP127 3.2 48.9 1.0 OD1 B:ASP127 3.2 56.5 1.0 O B:GLY122 3.6 61.0 1.0 C B:ILE118 3.6 47.6 1.0 CA B:ILE118 4.3 39.5 1.0 CB B:ASP121 4.4 51.3 1.0 CB B:ILE118 4.5 41.7 1.0 CB B:ASP127 4.5 42.0 1.0 C B:GLY122 4.5 56.3 1.0 N B:GLY119 4.7 53.5 1.0 OG B:SER124 4.7 57.4 1.0 N B:SER124 4.9 53.8 1.0 CA B:GLY119 4.9 49.9 1.0 N B:ASP121 5.0 54.7 1.0 N B:GLY122 5.0 57.9 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