4ZK4
Crystal structure of a chimeric acetylcholine binding protein from Aplysia californica (Ac-AChBP) containing loop C from the human alpha 3 nicotinic acetylcholine receptor in complex with 7-(5-isopropoxy-pyridin-3-yl)-1-methyl-1,7-diaza-spiro[4.4]nonane
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D, E | soluble acetylcholine receptor, neuronal acetylcholine receptor subunit alpha-3 chimera | polymer | 229 | 26200.2 | 5 | UniProt (Q8WSF8) UniProt (P32297) Pfam (PF02931) In PDB | Aplysia californica (California sea hare) | |
| 2 | A, E | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 3 | A, B, C, D | SULFATE ION | non-polymer | 96.1 | 5 | Chemie (SO4) | |||
| 4 | A | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 1 | Chemie (PG4) | |||
| 5 | C, E | (5R)-1-methyl-7-[5-(propan-2-yloxy)pyridin-3-yl]-1,7-diazaspiro[4.4]nonane | non-polymer | 275.4 | 2 | Chemie (TII) | |||
| 6 | water | water | 18.0 | 439 | Chemie (HOH) |
Sequence modifications
A, B, C, D, E: 1 - 181 (UniProt: Q8WSF8)
A, B, C, D, E: 182 - 197 (UniProt: P32297)
A, B, C, D, E: 198 - 219 (UniProt: Q8WSF8)
| PDB | External Database | Details |
|---|---|---|
| Tyr -7 | - | expression tag |
| Lys -6 | - | expression tag |
| Asp -5 | - | expression tag |
| Asp -4 | - | expression tag |
| Asp -3 | - | expression tag |
| Asp -2 | - | expression tag |
| Lys -1 | - | expression tag |
| Leu 0 | - | expression tag |
| Trp 55 | Tyr 72 | engineered mutation |
A, B, C, D, E: 198 - 219 (UniProt: Q8WSF8)
| PDB | External Database | Details |
|---|---|---|
| Val 199 | Asn 216 | engineered mutation |
| Ser 220 | - | expression tag |
| Arg 221 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 5 |
| Total formula weight | 131001.0 | |
| Non-Polymers* | Number of molecules | 10 |
| Total formula weight | 1273.9 | |
| All* | Total formula weight | 132274.9 |
