6ARY
Crystal structure of an insecticide-resistant acetylcholinesterase mutant from the malaria vector Anopheles gambiae in complex with a difluoromethyl ketone inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Acetylcholinesterase | polymer | 542 | 60648.0 | 2 | UniProt (Q869C3) Pfam (PF00135) | Anopheles gambiae (African malaria mosquito) | AChE |
| 2 | C, I (A, B) | (1S)-2,2-difluoro-1-[1-(pentan-3-yl)-1H-pyrazol-4-yl]ethan-1-ol | non-polymer | 218.2 | 2 | Chemie (BT7) | |||
| 3 | D, E, J (A, B) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 3 | Chemie (NAG) | |||
| 4 | F, G, K, L (A, B) | CITRATE ANION | non-polymer | 189.1 | 4 | Chemie (FLC) | |||
| 5 | H (A) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 6 | M, N (A, B) | water | water | 18.0 | 388 | Chemie (HOH) |
Sequence modifications
A, B: 162 - 702 (UniProt: Q869C3)
| PDB | External Database | Details |
|---|---|---|
| Ser 161 | - | expression tag |
| Ser 280 | Gly 280 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 121296.0 | |
| Non-Polymers* | Number of molecules | 10 |
| Total formula weight | 1892.0 | |
| All* | Total formula weight | 123188.0 |
