5MMV
Crystal structure of human Caspase-1 with 2-((2-naphthoyl)-L-valyl)-4-hydroxy-N-((3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl)-2-azabicyclo[2.2.2]octane-3-carboxamide (Compound 1)
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,Interleukin-1 beta-converting enzyme,IL-1 beta-converting enzyme,p45 |
| 2 | B (B) | Caspase-1 | polymer | 89 | 10390.0 | 1 | UniProt (P29466) Pfam (PF00656) | Homo sapiens (Human) | CASP-1,Interleukin-1 beta convertase,IL-1BC,Interleukin-1 beta-converting enzyme,IL-1 beta-converting enzyme,p45 |
| 3 | C (A) | (3~{S})-3-[[(3~{S})-2-[(2~{S})-3-methyl-2-(naphthalen-2-ylcarbonylamino)butanoyl]-4-oxidanyl-2-azabicyclo[2.2.2]octan-3-yl]carbonylamino]-4-oxidanyl-butanoic acid | non-polymer | 525.6 | 1 | Chemie (WE0) | |||
| 4 | D, E (A, B) | water | water | 18.0 | 120 | Chemie (HOH) |
Sequence modifications
A: 120 - 297 (UniProt: P29466)
B: 317 - 404 (UniProt: P29466)
| PDB | External Database | Details |
|---|---|---|
| Met 119 | - | initiating methionine |
| PDB | External Database | Details |
|---|---|---|
| Met 316 | - | initiating methionine |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 30391.0 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 525.6 | |
| All* | Total formula weight | 30916.6 |
