› 8ijx

Electron Microscopy
2.08Å resolution

Cryo-EM structure of the gastric proton pump with bound DQ-18

Released:
DOI: 10.2210/pdb8ijx/pdb
PDB entry 8ijx coloured by chain, front view.
PDB entry 8ijx coloured by chain, side view.
PDB entry 8ijx coloured by chain, top view.
Source organism: Sus scrofa
Primary publication:
Deep learning driven de novo drug design based on gastric proton pump structures.
Abe K, Ozako M, Inukai M, Matsuyuki Y, Kitayama S, Kanai C, Nagai C, Gopalasingam CC, Gerle C, Shigematsu H, Umekubo N, Yokoshima S, Yoshimori A
Commun Biol 6 956 (2023)
PMID: 37726448
Related structures: EMD-35502

Function and Biology Details

Reaction catalysed: 
ATP + H(2)O + H(+)(Side 1) + K(+)(Side 2) = ADP + phosphate + H(+)(Side 2) + K(+)(Side 1)
Biochemical function:
Biological process:
Cellular component:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-148371 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Potassium-transporting ATPase alpha chain 1 Chain: A
Molecule details ›
Chain: A
Length: 1033 amino acids
Theoretical weight: 114.33 KDa
Source organism: Sus scrofa
Expression system: Homo sapiens
UniProt:
  • Canonical: P19156 (Residues: 2-1034; Coverage: 100%)
Gene name: ATP4A
Sequence domains:
Potassium-transporting ATPase subunit beta Chain: B
Molecule details ›
Chain: B
Length: 290 amino acids
Theoretical weight: 33.11 KDa
Source organism: Sus scrofa
Expression system: Homo sapiens
UniProt:
  • Canonical: P18434 (Residues: 1-290; Coverage: 100%)
Gene name: ATP4B
Sequence domains: Sodium / potassium ATPase beta chain

Ligands and Environments

5 bound ligands:
Ligand PCW 6 x PCW
Ligand MG 1 x MG
Ligand PZ0 1 x PZ0
Ligand NAG 3 x NAG
Ligand CLR 1 x CLR
1 modified residue:
Ligand BFD 1 x BFD

Experiments and Validation Details

Entry percentile scores
Resolution: 2.08Å
Relevant EMDB volumes: EMD-35502
Expression system: Homo sapiens

Quick links

Citations

1 mention without citation

Deep learning driven de novo drug design based on gastric proton pump structures.
Abe et al. (2023)