6QBS
The Alkyne Moiety as a Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K
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 K | polymer | 215 | 23523.5 | 2 | UniProt (P43235) Pfam (PF00112) | Homo sapiens (Human) | Cathepsin O,Cathepsin O2,Cathepsin X |
| 2 | C, F (A, B) | (2~{S})-4-methyl-~{N}-prop-2-enyl-2-[[(1~{S})-2,2,2-tris(fluoranyl)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide | non-polymer | 482.6 | 2 | Chemie (HVW) | |||
| 3 | D (A) | CALCIUM ION | non-polymer | 40.1 | 1 | Chemie (CA) | |||
| 4 | E, G (A, B) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 5 | H, I (A, B) | water | water | 18.0 | 651 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 47047.0 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 1076.1 | |
| All* | Total formula weight | 48123.1 |
