6L3X
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 | A, B, C, D, E... | ATP-dependent Clp protease proteolytic subunit | polymer | 177 | 19474.2 | 14 | UniProt (Q2YSF8) Pfam (PF00574) In PDB | Staphylococcus aureus RF122 | Endopeptidase Clp |
2 | M, N, A, B, C... | [(1~{R})-1-[[(2~{S})-2-[[2,5-bis(chloranyl)phenyl]carbonylamino]-3-(1~{H}-indol-3-yl)propanoyl]amino]-3-methyl-butyl]boronic acid | non-polymer | 490.2 | 14 | Chemie (E4U) | |||
3 | water | water | 18.0 | 719 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 14 |
Total formula weight | 272638.4 | |
Non-Polymers* | Number of molecules | 14 |
Total formula weight | 6862.6 | |
All* | Total formula weight | 279501.0 |