MolNFT v1 · #189910 · protein
The structure of katp H175K mutant in pre-open state
7W4O · ATP-sensitive inward rectifier potassium channel 11: “The structure of katp H175K mutant in pre-open state”. Electron microscopy, 4 ligands (ADP, E2H, ATP), 20 pockets (best druggability 0.88). MolNFT v1 #189910 on GenesisL1: 3D…
- PDB
- 7W4O
- Type
- protein
- Length
- 6,944 residues
- Chains
- 8
- 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
- Q61743, A0A1U7R319
- Ligands
- ADP, E2H, ATP, MG
- Pockets
- 20 · best druggability 0.88
Structure
electron microscopy · 2 distinct chains · 58% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, E, G | ATP-sensitive inward rectifier potassium channel 11 | protein | 325 | 31% helix, 24% strand | Q61743 |
| B, D, F, H | ATP-binding cassette sub-family C member 8 isoform X2 | protein | 1411 | 64% helix, 9% strand | A0A1U7R319 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 4 copies · chains B, D, F, H
- E2H · 6-chloranyl-~{N}-(1-methylcyclopropyl)-1,1-bis(oxidanylidene)-4~{H}-thieno[3,2-E][1,2, 4]thiadiazin-3-amine · ligand · 4 copies · chains B, D, F, H
- ATP · Adenosine-5'-triphosphate · ligand · 4 copies · chains B, D, F, H
- MG · Magnesium ion · metal · 8 copies · chains B, D, F, H
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 | 970 | 0.88 | 0.90 | 87 | empty |
| 2 | 860 | 0.88 | 0.90 | 109 | empty |
| 3 | 771 | 0.88 | 0.91 | 99 | empty |
| 4 | 1156 | 0.87 | 0.88 | 110 | empty |
| 5 | 818 | 0.87 | 0.89 | 98 | MG, ATP |
Interfaces
14 interfaces between chains.
- A–C · 3423 Ų buried · 28 hydrogen bonds · protein-protein
- E–G · 3422 Ų buried · 28 hydrogen bonds · protein-protein
- A–G · 3417 Ų buried · 28 hydrogen bonds · protein-protein
- C–E · 3405 Ų buried · 28 hydrogen bonds · protein-protein
- C–D · 1435 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 7W4O · The structure of KATP H175K mutant in pre-open state · the same entry in another collection · chain H against H, TM-score 1.00
- Q61743 · AlphaFold monomer V2.0 prediction for ATP-sensitive inward rectifier potassium channel 11… · a predicted model of the same protein · chain A 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 Q61743
- Every structure of UniProt A0A1U7R319
- Elsewhere: RCSB PDB 7W4O · PDBe 7W4O · UniProt Q61743 · UniProt A0A1U7R319
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