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Pig gastric H+,K+ - ATPase in complex with BYK99

Analyse Pig gastric H+,K+ - ATPase in complex with BYK99 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5Y0B
Type
protein
Length
1,161 residues
Chains
2
Method
electron crystallography
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Potassium-transporting ATPase alpha chain 1; Potassium-transporting ATPase subunit beta
EC
3.6.3.10
UniProt
P19156, P18434
Pockets
18 · best druggability 0.79

Structure

electron crystallography · 2 distinct chains · 45% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APotassium-transporting ATPase alpha chain 1 (EC 3.6.3.10)protein98650% helix, 15% strandP19156
BPotassium-transporting ATPase subunit betaprotein17518% helix, 10% strandP18434

Pockets

18 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17780.790.8287empty
2580.730.9920empty
35160.730.8159empty
42190.600.8128empty
5790.590.8726empty

Interfaces

1 interface between chains.

  • A–B · 2132 Ų buried · 30 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 5Y0B · PIG GASTRIC H+,K+ - ATPASE IN COMPLEX with BYK99 · 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 0.95
  • 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 0.92

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