8EST
REACTION OF PORCINE PANCREATIC ELASTASE WITH 7-SUBSTITUTED 3-ALKOXY-4-CHLOROISOCOUMARINS: DESIGN OF POTENT INHIBITORS USING THE CRYSTAL STRUCTURE OF THE COMPLEX FORMED WITH 4-CHLORO-3-ETHOXY-7-GUANIDINO-ISOCOUMARIN
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (E) | PORCINE PANCREATIC ELASTASE | polymer | 240 | 25928.0 | 1 | UniProt (P00772) Pfam (PF00089) | Sus scrofa (pig) | |
| 2 | B (E) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 3 | C (E) | CALCIUM ION | non-polymer | 40.1 | 1 | Chemie (CA) | |||
| 4 | D (E) | ETHYL-(2-CARBOXY-4-GUANIDINIUM-PHENYL)-CHLOROACETATE | non-polymer | 299.7 | 1 | Chemie (GIS) | |||
| 5 | E (E) | water | water | 18.0 | 169 | Chemie (HOH) |
Sequence modifications
E: 16 - 245 (UniProt: P00772)
| PDB | External Database | Details |
|---|---|---|
| Asn 77 | Asp 92 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 25928.0 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 435.9 | |
| All* | Total formula weight | 26363.9 |
