5MTK
Crystal structure of human Caspase-1 with (3S,6S,10aS)-N-((2S,3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl)-6-(isoquinoline-1-carboxamido)-5-oxodecahydropyrrolo[1,2-a]azocine-3-carboxamide (PGE-3935199)
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},6~{S},10~{a}~{S})-6-(isoquinolin-1-ylcarbonylamino)-5-oxidanylidene-2,3,6,7,8,9,10,10~{a}-octahydro-1~{H}-pyrrolo[1,2-a]azocin-3-yl]carbonylamino]-4-oxidanyl-butanoic acid | non-polymer | 482.5 | 1 | Chemie (N7N) | |||
| 4 | D, E (A, B) | water | water | 18.0 | 17 | 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 | 482.5 | |
| All* | Total formula weight | 30873.5 |
