6L40
Discovery of novel peptidomimetic boronate ClpP inhibitors with noncanonical enzyme mechanism as potent virulence blockers in vitro and in vivo
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | E, A, B, C, D... | ATP-dependent Clp protease proteolytic subunit | polymer | 175 | 19243.9 | 14 | UniProt (Q2YSF8) Pfam (PF00574) In PDB | Staphylococcus aureus (strain bovine RF122 / ET3-1) | Endopeptidase Clp |
| 2 | M, N, E, A, B... | [(1S)-3-methyl-1-[[(2S)-3-phenyl-2-(pyrazin-2-ylcarbonylamino)propanoyl]amino]butyl]boronic acid | non-polymer | 384.2 | 14 | Chemie (FN3) | |||
| 3 | water | water | 18.0 | 548 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 14 |
| Total formula weight | 269414.4 | |
| Non-Polymers* | Number of molecules | 14 |
| Total formula weight | 5379.3 | |
| All* | Total formula weight | 274793.8 |
