3D6M
Crystal structure of human caspase-1 with a naturally-occurring Lys319->Arg substitution in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK)
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 | 179 | 20001.0 | 1 | UniProt (P29466) Pfam (PF00656) | Homo sapiens (human) | CASP-1, Interleukin-1 beta convertase, IL-1BC, IL-1 beta-converting enzyme, ICE, Interleukin-1 beta-converting enzyme, p45, Caspase-1 subunit p20, Caspase-1 subunit p10 |
| 2 | B (B) | Caspase-1 | polymer | 89 | 10418.0 | 1 | UniProt (P29466) Pfam (PF00656) | Homo sapiens (human) | CASP-1, Interleukin-1 beta convertase, IL-1BC, IL-1 beta-converting enzyme, ICE, Interleukin-1 beta-converting enzyme, p45, Caspase-1 subunit p20, Caspase-1 subunit p10 |
| 3 | C (C) | N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide | polymer | 5 | 471.9 | 1 | BIRD (PRD_000338) | ||
| 4 | D, E, F (A, B, C) | water | water | 18.0 | 238 | Chemie (HOH) |
Sequence modifications
A: 120 - 297 (UniProt: P29466)
B: 317 - 404 (UniProt: P29466)
| PDB | External Database | Details |
|---|---|---|
| Met 119 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Met 316 | - | expression tag |
| Arg 319 | Lys 319 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 30890.9 | |
| All* | Total formula weight | 30890.9 |
