2XUP
CRYSTAL STRUCTURE OF the MACHE-Y337A mutant in complex with soaked TZ2PA6 SYN 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 | 543 | 59672.4 | 2 | UniProt (P21836) Pfam (PF00135) | MUS MUSCULUS (HOUSE MOUSE) | ACHE |
| 2 | C, D (A) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 2 | Chemie (NAG) | |||
| 3 | E (A) | HEXAETHYLENE GLYCOL | non-polymer | 282.3 | 1 | Chemie (P6G) | |||
| 4 | F, H (A, B) | SULFITE ION | non-polymer | 80.1 | 2 | Chemie (SO3) | |||
| 5 | G, I (A, B) | 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-5-YL]HEXYL]-PHENANTHRIDINIUM | non-polymer | 661.9 | 2 | Chemie (TZ5) | |||
| 6 | J, K (A, B) | water | water | 18.0 | 39 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 543 (UniProt: P21836)
| PDB | External Database | Details |
|---|---|---|
| Ala 337 | Tyr 368 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 119344.8 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 2208.6 | |
| All* | Total formula weight | 121553.4 |
