MolNFT v1 · #175323 · protein
Cryo-EM structure of K+-bound herg channel in the presence of astemizole
7CN1 · Potassium channel: “Cryo-EM structure of K+-bound herg channel in the presence of astemizole”. Electron microscopy, 1 ligand (K), 16 pockets (best druggability 0.74). MolNFT v1 #175323 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7CN1
- Type
- protein
- Length
- 822 residues
- Chains
- 4
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Potassium channel
- Ligands
- K
- Pockets
- 16 · best druggability 0.74
Structure
electron microscopy · 4 distinct chains · 70% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Potassium channel | protein | 208 | 71% helix, 0% strand | — |
| B | Potassium channel | protein | 201 | 66% helix, 0% strand | — |
| C | Potassium channel | protein | 207 | 71% helix, 0% strand | — |
| D | Potassium channel | protein | 206 | 74% helix, 0% strand | — |
Ligands and binding sites
- K · Potassium ion · metal · 3 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 583 | 0.74 | 0.81 | 44 | K |
| 2 | 238 | 0.62 | 0.81 | 30 | empty |
| 3 | 265 | 0.56 | 0.77 | 30 | empty |
| 4 | 170 | 0.50 | 0.78 | 25 | empty |
| 5 | 128 | 0.46 | 0.77 | 20 | empty |
Interfaces
4 interfaces between chains.
- B–C · 996 Ų buried · 3 hydrogen bonds · protein-protein
- A–B · 945 Ų buried · 4 hydrogen bonds · protein-protein
- A–D · 933 Ų buried · 2 hydrogen bonds · protein-protein
- C–D · 908 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 7CN1 · Cryo-EM structure of K+-bound hERG channel in the presence of astemizole · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Elsewhere: RCSB PDB 7CN1 · PDBe 7CN1
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