7BZJ
The Discovery of Benzhydrol-Oxaborole Hybrid Derivatives as Leucyl-tRNA Synthetase Inhibitors
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Leucine--tRNA ligase | polymer | 192 | 21091.5 | 1 | UniProt (B8ZKS5) Pfam (PF13603) In PDB | Streptococcus pneumoniae (strain ATCC 700669 / Spain 23F-1) | Leucyl-tRNA synthetase,LeuRS |
| 2 | A | [(1~{R},5~{R},6~{S},8~{R})-8-(6-aminopurin-9-yl)-4'-[(~{R})-oxidanyl-[4-(2-oxidanylidenepropylsulfanyl)phenyl]methyl]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-6-yl]methoxy-tris(oxidanyl)phosphanium | non-polymer | 655.4 | 1 | Chemie (FGX) | |||
| 3 | water | water | 18.0 | 190 | Chemie (HOH) |
Sequence modifications
A: 228 - 410 (UniProt: B8ZKS5)
| PDB | External Database | Details |
|---|---|---|
| Met 227 | - | initiating methionine |
| Ser 399 | Cys 399 | engineered mutation |
| Leu 411 | - | expression tag |
| Glu 412 | - | expression tag |
| His 413 | - | expression tag |
| His 414 | - | expression tag |
| His 415 | - | expression tag |
| His 416 | - | expression tag |
| His 417 | - | expression tag |
| His 418 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 21091.5 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 655.4 | |
| All* | Total formula weight | 21746.9 |
