MolNFT v1 · #182686 · protein
Rigidity of loop 1 contributes to equipotency of globular and ribbon isomers of alpha-conotoxin ausia
7N0W · Acetylcholine-binding protein: “Rigidity of loop 1 contributes to equipotency of globular and ribbon isomers of alpha-conotoxin ausia”. X-ray diffraction, 20 pockets (best druggability 0.71). MolNFT v1 #182686 on GenesisL1: 3D…
- PDB
- 7N0W
- Type
- protein
- Length
- 1,029 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acetylcholine-binding protein; Ribbon alpha-conotoxin ausia
- UniProt
- P58154
- Pockets
- 20 · best druggability 0.71
Structure
x-ray diffraction · 5 distinct chains · 9% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, E | Acetylcholine-binding protein | protein | 205 | 10% helix, 45% strand | P58154 |
| B | Acetylcholine-binding protein | protein | 203 | 8% helix, 46% strand | P58154 |
| C | Acetylcholine-binding protein | protein | 201 | 7% helix, 47% strand | P58154 |
| D | Acetylcholine-binding protein | protein | 201 | 8% helix, 48% strand | P58154 |
| G | Ribbon alpha-conotoxin ausia | protein | 14 | 43% helix, 0% strand | — |
Pockets
20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 139 | 0.71 | 0.90 | 23 | empty |
| 2 | 139 | 0.69 | 0.89 | 26 | empty |
| 3 | 389 | 0.68 | 0.81 | 49 | empty |
| 4 | 419 | 0.68 | 0.80 | 47 | empty |
| 5 | 405 | 0.68 | 0.80 | 47 | empty |
Interfaces
7 interfaces between chains.
- B–D · 1432 Ų buried · 19 hydrogen bonds · protein-protein
- B–E · 1410 Ų buried · 18 hydrogen bonds · protein-protein
- C–D · 1403 Ų buried · 22 hydrogen bonds · protein-protein
- A–E · 1391 Ų buried · 17 hydrogen bonds · protein-protein
- A–C · 1136 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 11 disulfide (disulfide).
Compared structures
- 7N0W · Rigidity of loop 1 contributes to equipotency of globular and ribbon isomers of… · the same entry in another collection · chain A against A, TM-score 1.00
- P58154 · AlphaFold monomer V2.0 prediction for acetylcholine-binding protein (P58154) · a predicted model of the same protein · chain D against A, TM-score 0.99
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 P58154
- Elsewhere: RCSB PDB 7N0W · PDBe 7N0W · UniProt P58154
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