5QCA
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 | Cathepsin S | polymer | 223 | 24516.5 | 2 | UniProt (P25774) Pfam (PF00112) In PDB | Homo sapiens (Human) | |
| 2 | A, B | 1-{4-[(2-chloro-5-{1-[3-(4-cyclopropylpiperazin-1-yl)propyl]-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]phenyl}-N-[(4-chlorophenyl)methyl]methanamine | non-polymer | 731.8 | 2 | Chemie (BGJ) | |||
| 3 | A, B | SULFATE ION | non-polymer | 96.1 | 4 | Chemie (SO4) | |||
| 4 | water | water | 18.0 | 355 | 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 | 6 |
| Total formula weight | 1847.8 | |
| All* | Total formula weight | 50880.7 |
