MolNFT v1 · #177511 · protein
Human alpha 7 nicotinic acetylcholine receptor bound to evp-6124
7EKP · Neuronal acetylcholine receptor subunit alpha-7: “Human alpha 7 nicotinic acetylcholine receptor bound to evp-6124”. Electron microscopy, 3 ligands (I33, CLR, NAG), 20 pockets (best druggability 0.83). MolNFT v1 #177511 on…
- PDB
- 7EKP
- Type
- protein
- Length
- 1,980 residues
- Chains
- 5
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Neuronal acetylcholine receptor subunit alpha-7
- UniProt
- P36544
- Ligands
- I33, CLR, NAG
- Pockets
- 20 · best druggability 0.83
Structure
electron microscopy · 1 distinct chain · 40% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E | Neuronal acetylcholine receptor subunit alpha-7 | protein | 396 | 40% helix, 23% strand | P36544 |
Ligands and binding sites
- I33 · 7-chloro-N-(quinuclidin-3-yl)benzo[b]thiophene-2-carboxamide · ligand · 5 copies · chains A, B, C, D, E
- CLR · Cholesterol · ligand · 5 copies · chains A, B, C, D, E
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 15 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, 19 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 863 | 0.83 | 0.85 | 106 | I33 |
| 2 | 830 | 0.83 | 0.85 | 109 | I33 |
| 3 | 976 | 0.82 | 0.83 | 110 | I33 |
| 4 | 783 | 0.81 | 0.84 | 69 | empty |
| 5 | 275 | 0.80 | 0.91 | 35 | empty |
Interfaces
5 interfaces between chains.
- A–B · 3063 Ų buried · 31 hydrogen bonds · protein-protein
- D–E · 3056 Ų buried · 30 hydrogen bonds · protein-protein
- C–D · 3056 Ų buried · 32 hydrogen bonds · protein-protein
- A–E · 3051 Ų buried · 29 hydrogen bonds · protein-protein
- B–C · 3048 Ų buried · 30 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 disulfide, 10 glycan (disulfide, N-glycosylation).
Compared structures
- 7EKP · human alpha 7 nicotinic acetylcholine receptor bound to EVP-6124 · the same entry in another collection · chain E against E, TM-score 1.00
- P36544 · AlphaFold monomer V2.0 prediction for neuronal acetylcholine receptor subunit alpha-7… · a predicted model of the same protein · chain B against A, TM-score 0.95
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
- Elsewhere: RCSB PDB 7EKP · PDBe 7EKP · UniProt P36544
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