3DEK
Crystal Structures of Caspase-3 with Bound Isoquinoline-1,3,4-trione Derivative Inhibitors
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D (A, B, C, D) | Caspase-3 | polymer | 249 | 28566.5 | 4 | UniProt (P42574) Pfam (PF00656) | Homo sapiens (Human) | CASP-3, Apopain, Cysteine protease CPP32, Yama protein, CPP-32, SREBP cleavage activity 1, SCA-1, Caspase-3 subunit p17, Caspase-3 subunit p12 |
| 2 | E (A) | N-[3-(2-fluoroethoxy)phenyl]-N'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanediamide | non-polymer | 427.4 | 1 | Chemie (RXD) | |||
| 3 | F, G, H, I (A, B, C, D) | water | water | 18.0 | 241 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 29 - 277 (UniProt: P42574)
| PDB | External Database | Details |
|---|---|---|
| Asp 190 | Glu 190 | SEE REMARK 999 |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 114266.0 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 427.4 | |
| All* | Total formula weight | 114693.4 |
