MolNFT v1 · #54756 · protein
Crystal structure of aplysia californica achbp in complex with strychnine
2XYS · Soluble acetylcholine receptor: “Crystal structure of aplysia californica achbp in complex with strychnine”. X-ray diffraction, 1 ligand (SY9), 16 pockets (best druggability 0.70). MolNFT v1 #54756 on GenesisL1: 3D structure…
- PDB
- 2XYS
- Type
- protein
- Length
- 1,025 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Soluble acetylcholine receptor
- UniProt
- Q8WSF8
- Ligands
- SY9
- Pockets
- 16 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 8% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E | Soluble acetylcholine receptor | protein | 205 | 8% helix, 50% strand | Q8WSF8 |
Ligands and binding sites
- SY9 · Strychnine · ligand · 6 copies · chains A, B, C, D, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 562 | 0.70 | 0.79 | 73 | SY9 |
| 2 | 563 | 0.69 | 0.79 | 70 | SY9 |
| 3 | 586 | 0.69 | 0.78 | 75 | SY9 |
| 4 | 449 | 0.69 | 0.80 | 57 | SY9 |
| 5 | 601 | 0.68 | 0.77 | 75 | SY9 |
Interfaces
5 interfaces between chains.
- A–B · 1297 Ų buried · 10 hydrogen bonds · protein-protein
- B–C · 1287 Ų buried · 11 hydrogen bonds · protein-protein
- D–E · 1252 Ų buried · 9 hydrogen bonds · protein-protein
- C–D · 1251 Ų buried · 9 hydrogen bonds · protein-protein
- A–E · 1228 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 disulfide (disulfide).
Compared structures
- 2XYS · Crystal structure of Aplysia californica AChBP in complex with strychnine · the same entry in another collection · chain E against E, 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
- Every structure of UniProt Q8WSF8
- Elsewhere: RCSB PDB 2XYS · PDBe 2XYS · UniProt Q8WSF8
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