1RHU
CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE-3 WITH A 5,6,7 TRICYCLIC PEPTIDOMIMETIC INHIBITOR
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Caspase-3 | polymer | 147 | 16639.9 | 1 | UniProt (P42574) Pfam (PF00656) In PDB | Homo sapiens (human) | Cysteine protease CPP32, Yama protein, CPP-32, Apopain, CASP-3, SREBP cleavage activity 1, SCA-1 |
| 2 | B | Caspase-3 | polymer | 102 | 11910.6 | 1 | UniProt (P42574) Pfam (PF00656) In PDB | Homo sapiens (human) | Cysteine protease CPP32, Yama protein, CPP-32, Apopain, CASP-3, SREBP cleavage activity 1, SCA-1 |
| 3 | A | (3S)-3-[({(2S)-5-[(N-ACETYL-L-ALPHA-ASPARTYL)AMINO]-4-OXO-1,2,4,5,6,7-HEXAHYDROAZEPINO[3,2,1-HI]INDOL-2-YL}CARBONYL)AMINO]-5-(BENZYLSULFANYL)-4-OXOPENTANOIC ACID | non-polymer | 638.7 | 1 | Chemie (3CY) | |||
| 4 | water | water | 18.0 | 99 | Chemie (HOH) |
Sequence modifications
B: 310 - 402 (UniProt: P42574)
| PDB | External Database | Details |
|---|---|---|
| Glu 324 | Asp 190 | variant |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 28550.5 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 638.7 | |
| All* | Total formula weight | 29189.2 |
