1RHR
CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE-3 WITH A CINNAMIC ACID METHYL ESTER INHIBITOR
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-3 | polymer | 147 | 16639.9 | 1 | UniProt (P42574) Pfam (PF00656) | Homo sapiens (human) | Cysteine protease CPP32, Yama protein, CPP-32, Apopain, CASP-3, SREBP cleavage activity 1, SCA-1 |
| 2 | B (B) | Caspase-3 | polymer | 102 | 11910.6 | 1 | UniProt (P42574) Pfam (PF00656) | Homo sapiens (human) | Cysteine protease CPP32, Yama protein, CPP-32, Apopain, CASP-3, SREBP cleavage activity 1, SCA-1 |
| 3 | C (A) | (3S)-5-[(2-CHLORO-6-FLUOROBENZYL)SULFANYL]-3-{[N-({2-ETHOXY-5-[(1E)-3-METHOXY-3-OXOPROP-1-ENYL]PHENYL}ACETYL)-D-VALYL]AMINO}-4-OXOPENTANOIC ACID | non-polymer | 651.1 | 1 | Chemie (CNE) | |||
| 4 | D, E (A, B) | water | water | 18.0 | 42 | 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 | 651.1 | |
| All* | Total formula weight | 29201.6 |
