6NYW
Structure of spastin AAA domain N527C mutant in complex with 8-fluoroquinazoline-based 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) | Spastin | polymer | 314 | 34310.1 | 1 | UniProt (Q8I0P1) Pfam (PF00004) Pfam (PF17862) Pfam (PF09336) | Drosophila melanogaster (Fruit fly) | D-Spastin,Dm-Spastin,Dspastin |
| 2 | B (B) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 3 | C (B) | N-(5-tert-butyl-1H-pyrazol-3-yl)-8-fluoro-2-[(2R)-2-methylpiperazin-1-yl]quinazolin-4-amine | non-polymer | 383.5 | 1 | Chemie (L8M) | |||
| 4 | D, E (B) | (4S)-2-METHYL-2,4-PENTANEDIOL | non-polymer | 118.2 | 2 | Chemie (MPD) | |||
| 5 | F, G (B) | ACETATE ION | non-polymer | 59.0 | 2 | Chemie (ACT) | |||
| 6 | H (B) | water | water | 18.0 | 107 | Chemie (HOH) |
Sequence modifications
B: 445 - 758 (UniProt: Q8I0P1)
| PDB | External Database | Details |
|---|---|---|
| Cys 527 | Asn 527 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 34310.1 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 834.0 | |
| All* | Total formula weight | 35144.0 |
