MolNFT v1 · #188634 · protein
Cryo-EM structure of the pancreatic ATP-sensitive potassium channel bound to ATP and repaglinide with SUR1-in conformation
7U1Q · ATP-sensitive inward rectifier potassium channel 11: “Cryo-EM structure of the pancreatic ATP-sensitive potassium channel bound to ATP and repaglinide with SUR1-in…”. Electron microscopy, 7 ligands (P5S, ATP, POV), 20 pockets (best…
- PDB
- 7U1Q
- Type
- protein
- Length
- 2,791 residues
- Chains
- 5
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ATP-sensitive inward rectifier potassium channel 11; ATP-binding cassette sub-family C…
- UniProt
- P70673, Q09427
- Ligands
- P5S, ATP, POV, PTY, BJX, NAG, K
- Pockets
- 20 · best druggability 0.89
Structure
electron microscopy · 5 distinct chains · 47% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ATP-sensitive inward rectifier potassium channel 11 | protein | 361 | 30% helix, 22% strand | P70673 |
| B | ATP-sensitive inward rectifier potassium channel 11 | protein | 333 | 32% helix, 22% strand | P70673 |
| C | ATP-sensitive inward rectifier potassium channel 11 | protein | 332 | 34% helix, 20% strand | P70673 |
| D | ATP-sensitive inward rectifier potassium channel 11 | protein | 331 | 32% helix, 24% strand | P70673 |
| E | ATP-binding cassette sub-family C member 8 | protein | 1434 | 62% helix, 4% strand | Q09427 |
Ligands and binding sites
- P5S · O-[(R)-{[(2R)-2,3-bis(octadecanoyloxy) propyl]oxy}(hydroxy)phosphoryl]-L-serine · ligand · 6 copies · chains A, D, B, C, E
- ATP · Adenosine-5'-triphosphate · ligand · 5 copies · chains A, D, B, C, E
- POV · (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate · ligand · 5 copies · chains A, D, E, B, C
- PTY · Phosphatidylethanolamine · ligand · 5 copies · chains A, E
- BJX · Repaglinide · ligand · chains A, E
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains E
- K · Potassium ion · metal · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 981 | 0.89 | 0.91 | 114 | BJX |
| 2 | 508 | 0.86 | 0.92 | 51 | empty |
| 3 | 910 | 0.84 | 0.86 | 125 | empty |
| 4 | 1154 | 0.84 | 0.85 | 99 | empty |
| 5 | 644 | 0.83 | 0.88 | 92 | empty |
Interfaces
8 interfaces between chains.
- A–D · 3333 Ų buried · 25 hydrogen bonds · protein-protein
- B–C · 3321 Ų buried · 27 hydrogen bonds · protein-protein
- C–D · 3249 Ų buried · 22 hydrogen bonds · protein-protein
- A–B · 3207 Ų buried · 21 hydrogen bonds · protein-protein
- A–E · 2514 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 disulfide, 1 glycan (disulfide, N-glycosylation).
Compared structures
- 7U1Q · Cryo-EM structure of the pancreatic ATP-sensitive potassium channel bound to ATP and… · the same entry in another collection · chain E against E, TM-score 1.00
- P70673 · AlphaFold monomer V2.0 prediction for ATP-sensitive inward rectifier potassium channel 11… · a predicted model of the same protein · chain B against A, TM-score 0.98
- Q09427 · AlphaFold monomer V2.0 prediction for ATP-binding cassette sub-family C member 8 (Q09427) · a predicted model of the same protein · chain E against A, TM-score 0.97
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 P70673
- Every structure of UniProt Q09427
- Elsewhere: RCSB PDB 7U1Q · PDBe 7U1Q · UniProt P70673 · UniProt Q09427
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