5QC7
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 (A, B) | Cathepsin S | polymer | 223 | 24516.5 | 2 | UniProt (P25774) Pfam (PF00112) | Homo sapiens (Human) | |
| 2 | C, G (A, B) | 2-[1-(cyclohexylmethyl)piperidin-4-yl]-1-{3-[3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-propyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one | non-polymer | 673.9 | 2 | Chemie (BQS) | |||
| 3 | D, E, F, I, J (A, B) | ETHANOL | non-polymer | 46.1 | 5 | Chemie (EOH) | |||
| 4 | H (B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 5 | K, L (A, B) | water | water | 18.0 | 545 | Chemie (HOH) |
Sequence modifications
A, B: 0 - 217 (UniProt: P25774)
| PDB | External Database | Details |
|---|---|---|
| Ser 25 | Cys 139 | engineered mutation |
| 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 | 2 |
| Total formula weight | 49032.9 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 1656.3 | |
| All* | Total formula weight | 50689.3 |
