K+-bound E2-MgF state of the gastric proton pump (Tyr799Trp)

Structure

x-ray diffraction · resolution 2.5 · 2 distinct chains · 43% helix, 17% strand (DSSP).

Ligands and binding sites

• PCW · 1,2-dioleoyl-sn-glycero-3-phosphocholine · ligand · 4 copies · chains A, B
• MF4 · Tetrafluoromagnesate(2-) · ligand · chains A
• CE1 · O-dodecanyl octaethylene glycol · ligand · chains A
• CLR · Cholesterol · ligand · chains A, B
• NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 6 copies · chains B
• K · Potassium ion · metal · 6 copies · chains A
• MG · Magnesium ion · metal · chains A

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

Pockets

18 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 2205 Ų buried · 33 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 glycan, 3 disulfide (N-glycosylation, disulfide).

Compared structures

• 6JXH · K+-bound E2-mgf state of the gastric proton pump (TYR799TRP) · the same entry in another collection · chain A against A, TM-score 1.00
• P19156 · AlphaFold monomer V2.0 prediction for potassium-transporting ATPase alpha chain 1 (P19156) · a predicted model of the same protein · chain A against A, TM-score 0.99
• P18434 · AlphaFold monomer V2.0 prediction for potassium-transporting ATPase subunit beta (P18434) · a predicted model of the same protein · chain B against A, TM-score 0.95

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 P19156
• Every structure of UniProt P18434
• Elsewhere: RCSB PDB 6JXH · PDBe 6JXH · UniProt P19156 · UniProt P18434