MolNFT v1 · #145419 · protein
Structure of the 2ALPHA3BETA stiochiometry of the human ALPHA4BETA2 nicotinic receptor
6CNJ · Neuronal acetylcholine receptor subunit alpha-4: “Structure of the 2ALPHA3BETA stiochiometry of the human ALPHA4BETA2 nicotinic receptor”. Electron microscopy, 5 ligands (Y01, NCT, NAG), 20 pockets (best druggability 0.83). MolNFT…
- PDB
- 6CNJ
- Type
- protein
- Length
- 3,122 residues
- Chains
- 11
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Neuronal acetylcholine receptor subunit alpha-4; Neuronal acetylcholine receptor subunit…
- UniProt
- P43681, P17787
- Ligands
- Y01, NCT, NAG, BMA, NA
- Pockets
- 20 · best druggability 0.83
Structure
electron microscopy · 4 distinct chains · 22% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Neuronal acetylcholine receptor subunit alpha-4 | protein | 370 | 34% helix, 25% strand | P43681 |
| B, C, E | Neuronal acetylcholine receptor subunit beta-2 | protein | 358 | 33% helix, 24% strand | P17787 |
| F, H, J | IGG1 kappa light chain | protein | 218 | 5% helix, 49% strand | — |
| G, I, K | IGG1 heavy chain | protein | 218 | 0% helix, 42% strand | — |
Ligands and binding sites
- Y01 · Cholesterol hemisuccinate · ligand · 10 copies · chains A, E, B, C, D
- NCT · (S)-3-(1-methylpyrrolidin-2-yl)pyridine · ligand · 2 copies · chains A, B, D, E
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 8 copies · chains B, H, I, C, F, G, E, J, K, A, D
- BMA · beta-D-mannopyranose · sugar · 3 copies
- NA · Sodium ion · metal
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 | 1108 | 0.83 | 0.84 | 118 | NA |
| 2 | 385 | 0.75 | 0.85 | 53 | NCT |
| 3 | 680 | 0.74 | 0.80 | 67 | empty |
| 4 | 388 | 0.73 | 0.84 | 39 | empty |
| 5 | 307 | 0.73 | 0.86 | 44 | NCT |
Interfaces
17 interfaces between chains.
- A–B · 3019 Ų buried · 23 hydrogen bonds · protein-protein
- D–E · 2951 Ų buried · 18 hydrogen bonds · protein-protein
- C–D · 2692 Ų buried · 9 hydrogen bonds · protein-protein
- A–E · 2663 Ų buried · 11 hydrogen bonds · protein-protein
- B–C · 2206 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 disulfide, 7 glycan, 2 covalent (disulfide, N-glycosylation, covalent ligand, glycosylation).
Compared structures
- 6CNJ · Structure of the 2alpha3beta stiochiometry of the human Alpha4Beta2 nicotinic receptor · the same entry in another collection · chain K against K, TM-score 1.00
- P43681 · AlphaFold monomer V2.0 prediction for neuronal acetylcholine receptor subunit alpha-4… · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P43681
- Every structure of UniProt P17787
- Elsewhere: RCSB PDB 6CNJ · PDBe 6CNJ · UniProt P43681 · UniProt P17787
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