2FQQ
Crystal structure of human caspase-1 (Cys285->Ala, Cys362->Ala, Cys364->Ala, Cys397->Ala) in complex with 1-methyl-3-trifluoromethyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid (2-mercapto-ethyl)-amide
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Caspase-1 | polymer | 178 | 19837.8 | 1 | UniProt (P29466) Pfam (PF00656) | Homo sapiens (human) | |
| 2 | B (B) | Caspase-1 | polymer | 88 | 10162.6 | 1 | UniProt (P29466) Pfam (PF00656) | Homo sapiens (human) | |
| 3 | C (B) | 1-METHYL-3-TRIFLUOROMETHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXYLIC ACID (2-MERCAPTO-ETHYL)-AMIDE | non-polymer | 309.3 | 1 | Chemie (F1G) | |||
| 4 | D, E (A, B) | water | water | 18.0 | 18 | Chemie (HOH) |
Sequence modifications
A: 120 - 297 (UniProt: P29466)
B: 317 - 404 (UniProt: P29466)
| PDB | External Database | Details |
|---|---|---|
| Ala 285 | Cys 285 | engineered mutation |
| PDB | External Database | Details |
|---|---|---|
| Ala 362 | Cys 362 | engineered mutation |
| Ala 364 | Cys 364 | engineered mutation |
| Ala 397 | Cys 397 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 30000.3 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 309.3 | |
| All* | Total formula weight | 30309.7 |
