1THE
CRYSTAL STRUCTURES OF RECOMBINANT RAT CATHEPSIN B AND A CATHEPSIN B-INHIBITOR COMPLEX: IMPLICATIONS FOR STRUCTURE-BASED INHIBITOR DESIGN
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Cathepsin B | polymer | 260 | 28441.6 | 2 | UniProt (P00787) Pfam (PF00112) | Rattus norvegicus (brown rat rat rats) | Cathepsin B1, RSG-2, Cathepsin B light chain, Cathepsin B heavy chain |
| 2 | C, D (A, B) | amino{[(4S)-4-{[(benzyloxy)carbonyl]amino}-5-{[(2S)-1-(benzyloxy)-4-chloro-3-oxobutan-2-yl]amino}-5-oxopentyl]amino}met haniminium | non-polymer | 519.0 | 2 | BIRD (PRD_000253) Chemie (0E6) | |||
| 3 | E, F (A, B) | water | water | 18.0 | 238 | Chemie (HOH) |
Sequence modifications
A, B: -5 - 254 (UniProt: P00787)
| PDB | External Database | Details |
|---|---|---|
| Ala 115 | Ser 194 | conflict |
| Ala 223 | Val 302 | SEE REMARK 999 |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 56883.1 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 1038.0 | |
| All* | Total formula weight | 57921.2 |
