MolNFT v1 · #139465 · protein
Co-crystal structure of ac-achbpp in complex with alpha-conotoxin lvia
5XGL · Soluble acetylcholine receptor: “Co-crystal structure of ac-achbpp in complex with alpha-conotoxin lvia”. X-ray diffraction, 1 ligand (NH2), 20 pockets (best druggability 0.62). MolNFT v1 #139465 on GenesisL1: 3D structure, binding…
- PDB
- 5XGL
- Type
- protein
- Length
- 1,115 residues
- Chains
- 10
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Soluble acetylcholine receptor; Alpha-conotoxin lvia
- UniProt
- Q8WSF8, L8BU87
- Ligands
- NH2
- Pockets
- 20 · best druggability 0.62
Structure
x-ray diffraction · 2 distinct chains · 14% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, D, G, I | Soluble acetylcholine receptor | protein | 207 | 11% helix, 50% strand | Q8WSF8 |
| F, C, E, H, J | Alpha-conotoxin lvia | protein | 16 | 56% helix, 0% strand | L8BU87 |
Ligands and binding sites
- NH2 · Amino group · ion · 5 copies · chains F, G, A, C, B, E, H, I, D, 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, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 424 | 0.62 | 0.77 | 43 | empty |
| 2 | 407 | 0.61 | 0.76 | 45 | empty |
| 3 | 364 | 0.60 | 0.77 | 39 | empty |
| 4 | 361 | 0.59 | 0.76 | 44 | empty |
| 5 | 317 | 0.58 | 0.77 | 40 | empty |
Interfaces
15 interfaces between chains.
- A–B · 1268 Ų buried · 12 hydrogen bonds · protein-protein
- A–G · 1243 Ų buried · 13 hydrogen bonds · protein-protein
- D–I · 1221 Ų buried · 13 hydrogen bonds · protein-protein
- G–I · 1220 Ų buried · 13 hydrogen bonds · protein-protein
- B–D · 1188 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 20 disulfide (disulfide).
Compared structures
- 5XGL · Co-crystal structure of Ac-AChBPP in complex with alpha-conotoxin LvIA · the same entry in another collection · chain J against J, TM-score 1.00
- L8BU87 · AlphaFold monomer V2.0 prediction for alpha-conotoxin lvia (L8BU87) · a predicted model of the same protein · chain H against A, TM-score 0.67
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 Q8WSF8
- Every structure of UniProt L8BU87
- Elsewhere: RCSB PDB 5XGL · PDBe 5XGL · UniProt Q8WSF8 · UniProt L8BU87
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