MolNFT v1 · #78996 · protein
Crystal structures of the ligand binding domain of a pentameric ALPHA7 nicotinic receptor chimera
3SQ9 · Neuronal acetylcholine receptor subunit alpha-7…: “Crystal structures of the ligand binding domain of a pentameric ALPHA7 nicotinic receptor chimera”. X-ray diffraction, 1 ligand (NAG), 20 pockets (best druggability 0.75). MolNFT v1…
- PDB
- 3SQ9
- Type
- protein
- Length
- 2,020 residues
- Chains
- 10
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Neuronal acetylcholine receptor subunit alpha-7, acetylcholine-binding protein
- Ligands
- NAG
- Pockets
- 20 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 5% helix, 44% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, I, J | Neuronal acetylcholine receptor subunit alpha-7, acetylcholine-binding protein | protein | 202 | 5% helix, 44% strand | — |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 20 copies · chains B, H, I, A, C, D, E, F, G, J
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 | 832 | 0.75 | 0.79 | 83 | empty |
| 2 | 605 | 0.71 | 0.79 | 71 | empty |
| 3 | 539 | 0.71 | 0.80 | 56 | empty |
| 4 | 413 | 0.69 | 0.81 | 49 | empty |
| 5 | 429 | 0.69 | 0.80 | 38 | empty |
Interfaces
13 interfaces between chains.
- H–I · 1372 Ų buried · 14 hydrogen bonds · protein-protein
- F–J · 1370 Ų buried · 14 hydrogen bonds · protein-protein
- C–D · 1332 Ų buried · 12 hydrogen bonds · protein-protein
- A–B · 1310 Ų buried · 14 hydrogen bonds · protein-protein
- G–H · 1274 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 20 disulfide, 17 glycan (disulfide, N-glycosylation).
Compared structures
- 3SQ9 · Crystal Structures of the Ligand Binding Domain of a Pentameric Alpha7 Nicotinic Receptor… · 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 3SQ9 · PDBe 3SQ9
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