MolNFT v1 · #108116 · protein
Cryo-EM structure of antagonist-bound E2P gastric H,K-ATPase (SCH.E2.ALF)
4UX1 · Potassium-transporting ATPase alpha chain 1: “Cryo-EM structure of antagonist-bound E2P gastric H,K-ATPase (SCH.E2.ALF)”. Electron crystallography, 12 pockets (best druggability 0.79). MolNFT v1 #108116 on GenesisL1: 3D structure…
- PDB
- 4UX1
- Type
- protein
- Length
- 1,168 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
- 12 · best druggability 0.79
Structure
electron crystallography · 2 distinct chains · 43% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Potassium-transporting ATPase alpha chain 1 (EC 3.6.3.10) | protein | 993 | 47% helix, 14% strand | P19156 |
| B | Potassium-transporting ATPase subunit beta | protein | 175 | 18% helix, 10% strand | P18434 |
Pockets
12 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 970 | 0.79 | 0.81 | 90 | empty |
| 2 | 817 | 0.76 | 0.80 | 117 | empty |
| 3 | 777 | 0.74 | 0.79 | 64 | empty |
| 4 | 273 | 0.60 | 0.79 | 35 | empty |
| 5 | 75 | 0.55 | 0.87 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 2113 Ų buried · 26 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 4UX1 · Cryo-EM structure of antagonist-bound E2P gastric H,K-ATPase (SCH.E2. AlF) · 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 0.96
- 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 0.90
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 4UX1 · PDBe 4UX1 · UniProt P19156 · UniProt P18434
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