9F84
Structure of Choline O-acetyltransferase in complex with 1-Methyl-4-[2-(1-naphthyl)-2-(propylthio)ethyl]pyridinium at 1.9 Angstrom resolution
This is a non-PDB format compatible entry.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Choline O-acetyltransferase | polymer | 612 | 68113.4 | 1 | UniProt (P28329) Pfam (PF00755) | Homo sapiens (human) | CHOACTase,ChAT,Choline acetylase |
| 2 | B (A) | 1-methyl-4-[(2S)-2-naphthalen-1-yl-2-propylsulfanyl-ethyl]-4H-pyridine | non-polymer | 323.5 | 1 | Chemie (A1IAP) | |||
| 3 | C (A) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 4 | D (A) | water | water | 18.0 | 434 | Chemie (HOH) |
Sequence modifications
A: 2 - 345 (UniProt: P28329)
A: 359 - 615 (UniProt: P28329)
| PDB | External Database | Details |
|---|---|---|
| Ala 1 | - | expression tag |
| Ala 225 | Glu 343 | engineered mutation |
| Ala 226 | Asp 344 | engineered mutation |
| Ala 227 | Glu 345 | engineered mutation |
| Met 343 | Val 461 | conflict |
| PDB | External Database | Details |
|---|---|---|
| Pro 349 | - | linker |
| Glu 350 | - | linker |
| Leu 351 | - | linker |
| Val 352 | - | linker |
| Arg 353 | - | linker |
| Ser 354 | - | linker |
| Pro 355 | - | linker |
| Met 356 | - | linker |
| Val 357 | - | linker |
| Pro 358 | - | linker |
| Ala 518 | Lys 636 | engineered mutation |
| Ala 519 | Glu 637 | engineered mutation |
| Ala 582 | Lys 700 | engineered mutation |
| Ala 583 | Glu 701 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 68113.4 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 346.5 | |
| All* | Total formula weight | 68459.8 |
