3H0E
3,4-Dihydropyrimido(1,2-a)indol-10(2H)-ones as Potent Non-Peptidic Inhibitors of Caspase-3
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | Caspase-3 | polymer | 255 | 29361.4 | 2 | UniProt (P42574) Pfam (PF00656) In PDB | Homo sapiens (human) | CASP-3, Apopain, Cysteine protease CPP32, CPP-32, Yama protein, SREBP cleavage activity 1, SCA-1, Caspase-3 subunit p17, Caspase-3 subunit p12 |
2 | A, B | (10S)-3,3-dimethyl-8-{[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl}-2,3,4,10-tetrahydropyrimido[1,2-a]indol-10-ol | non-polymer | 455.6 | 2 | Chemie (H0E) | |||
3 | water | water | 18.0 | 278 | Chemie (HOH) |
Sequence modifications
A, B: 29 - 277 (UniProt: P42574)
PDB | External Database | Details |
---|---|---|
His 278 | - | EXPRESSION TAG |
His 279 | - | EXPRESSION TAG |
His 280 | - | EXPRESSION TAG |
His 281 | - | EXPRESSION TAG |
His 282 | - | EXPRESSION TAG |
His 283 | - | EXPRESSION TAG |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 58722.8 | |
Non-Polymers* | Number of molecules | 2 |
Total formula weight | 911.1 | |
All* | Total formula weight | 59633.9 |