8C0P
Crystal structure of S. aureus BlaR1 sensor domain in complex with a boronate inhibitor
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | Regulatory protein BlaR1 | polymer | 254 | 29770.4 | 2 | UniProt (P18357) Pfam (PF00905) In PDB | Staphylococcus aureus | |
2 | A, B | [1-[[2,4-bis(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]sulfanylmethyl-$l^{3}-oxidanyl-bis(oxidanyl)boron | non-polymer | 451.2 | 2 | Chemie (SZI) | Staphylococcus aureus | ||
3 | water | water | 18.0 | 84 | Chemie (HOH) |
Sequence modifications
A, B: 332 - 585 (UniProt: P18357)
PDB | External Database | Details |
---|---|---|
Ala 369 | Lys 369 | engineered mutation |
Ala 370 | Lys 370 | engineered mutation |
Ala 372 | Lys 372 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 59540.9 | |
Non-Polymers* | Number of molecules | 2 |
Total formula weight | 902.3 | |
All* | Total formula weight | 60443.2 |