5QCJ
Crystal structure of human Cathepsin-S with bound ligand
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C (A, B, C) | Cathepsin S | polymer | 223 | 24516.5 | 3 | UniProt (P25774) Pfam (PF00112) | Homo sapiens (Human) | |
| 2 | D, F, H (A, B, C) | 5-hydroxy-3-{1-[(2S)-2-hydroxy-3-{5-(methylsulfonyl)-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}propyl]piperidin-4-yl}-1H-pyrrolo[3,2-c]pyridin-5-ium | non-polymer | 619.7 | 3 | Chemie (BJY) | |||
| 3 | E, G, I (A, B, C) | SULFATE ION | non-polymer | 96.1 | 3 | Chemie (SO4) | |||
| 4 | J, K, L (A, B, C) | water | water | 18.0 | 602 | Chemie (HOH) |
Sequence modifications
A, B, C: 0 - 217 (UniProt: P25774)
| PDB | External Database | Details |
|---|---|---|
| Ser 25 | Cys 139 | conflict |
| Leu 218 | - | expression tag |
| Gln 219 | - | expression tag |
| Gly 220 | - | expression tag |
| Gly 221 | - | expression tag |
| Gly 222 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 73549.4 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 2147.2 | |
| All* | Total formula weight | 75696.6 |
