Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_MJ soaked with 20 mm na+ and zero CA2+

Structure

x-ray diffraction · 1 distinct chain · 82% helix, 2% strand (DSSP).

Ligands and binding sites

• MYC · 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one · ligand · 7 copies · chains A
• MYS · Pentadecane · ligand · 3 copies · chains A
• NA · Sodium ion · metal · 3 copies · chains A
• CA · Calcium ion · metal · 2 copies · chains A
• OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 3 copies · chains A
• 1PE · Pentaethylene glycol · additive · 2 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Compared structures

• 5HXC · Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in… · the same entry in another collection · chain A against A, TM-score 1.00
• Q57556 · AlphaFold monomer V2.0 prediction for uncharacterized membrane protein MJ0091 (Q57556) · a predicted model of the same protein · chain A against A, TM-score 0.98

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt Q57556
• Elsewhere: RCSB PDB 5HXC · PDBe 5HXC · UniProt Q57556