2H51
Crystal structure of human caspase-1 (Glu390->Asp and Arg286->Lys) 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 | Caspase-1 | polymer | 178 | 19841.8 | 1 | UniProt (P29466) Pfam (PF00656) In PDB | Homo sapiens (human) | |
2 | B | Caspase-1 | polymer | 88 | 10244.7 | 1 | UniProt (P29466) Pfam (PF00656) In PDB | Homo sapiens (human) | |
3 | 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 | water | water | 18.0 | 215 | Chemie (HOH) |
Sequence modifications
A: 120 - 297 (UniProt: P29466)
B: 317 - 404 (UniProt: P29466)
PDB | External Database | Details |
---|---|---|
Lys 286 | Arg 286 | engineered mutation |
PDB | External Database | Details |
---|---|---|
Asp 390 | Glu 390 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 3 |
Total formula weight | 30558.5 | |
All* | Total formula weight | 30558.5 |