MolNFT v1 · #180083 · protein
Alpha-7 nicotinic acetylcholine receptor bound to alpha-bungarotoxin in a resting state
7KOO · Neuronal acetylcholine receptor subunit alpha-7,SOLUBLE…: “Alpha-7 nicotinic acetylcholine receptor bound to alpha-bungarotoxin in a resting state”. Electron microscopy, 4 ligands (NAG, BMA, MAN), 20 pockets (best druggability…
- PDB
- 7KOO
- Type
- protein
- Length
- 2,315 residues
- Chains
- 10
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Neuronal acetylcholine receptor subunit alpha-7,SOLUBLE cytochrome B562 fusion…
- UniProt
- P36544, P60616
- Ligands
- NAG, BMA, MAN, CA
- Pockets
- 20 · best druggability 0.78
Structure
electron microscopy · 2 distinct chains · 35% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E | Neuronal acetylcholine receptor subunit alpha-7,SOLUBLE cytochrome B562 fusion | protein | 392 | 41% helix, 24% strand | P36544 |
| F, G, H, I, J | Alpha-bungarotoxin isoform V31 | protein | 71 | 0% helix, 27% strand | P60616 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 25 copies · chains A, J, B, F, C, G, D, H, E, I
- BMA · beta-D-mannopyranose · sugar · 5 copies
- MAN · alpha-D-mannopyranose · sugar · 5 copies · chains E, A, B, C, D
- CA · Calcium ion · metal · 5 copies · chains A, B, C, D, E
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 | 335 | 0.78 | 0.87 | 34 | empty |
| 2 | 175 | 0.74 | 0.90 | 32 | empty |
| 3 | 146 | 0.74 | 0.91 | 26 | empty |
| 4 | 142 | 0.73 | 0.91 | 25 | empty |
| 5 | 161 | 0.72 | 0.90 | 29 | empty |
Interfaces
15 interfaces between chains.
- B–C · 3147 Ų buried · 29 hydrogen bonds · protein-protein
- A–E · 3118 Ų buried · 26 hydrogen bonds · protein-protein
- A–B · 3086 Ų buried · 28 hydrogen bonds · protein-protein
- C–D · 3082 Ų buried · 26 hydrogen bonds · protein-protein
- D–E · 3081 Ų buried · 26 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 30 disulfide, 15 glycan (disulfide, N-glycosylation).
Compared structures
- 7KOO · Alpha-7 nicotinic acetylcholine receptor bound to alpha-bungarotoxin in a resting state · the same entry in another collection · chain J against J, TM-score 1.00
- P60616 · AlphaFold monomer V2.0 prediction for alpha-bungarotoxin isoform V31 (P60616) · a predicted model of the same protein · chain I against A, TM-score 0.96
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 P36544
- Every structure of UniProt P60616
- Elsewhere: RCSB PDB 7KOO · PDBe 7KOO · UniProt P36544 · UniProt P60616
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