4JHZ
Structure of E. coli beta-Glucuronidase bound with a novel, potent inhibitor 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(1S,2S,5S)-2,5-dimethoxycyclohexyl]acetamide
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | Beta-glucuronidase | polymer | 603 | 69099.3 | 2 | UniProt (P05804) Pfam (PF02837) Pfam (PF00703) Pfam (PF02836) In PDB | Escherichia coli | GUS, Beta-D-glucuronoside glucuronosohydrolase |
| 2 | A, B | 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(1S,2S,5S)-2,5-dimethoxycyclohexyl]acetamide | non-polymer | 419.5 | 2 | Chemie (1KV) | |||
| 3 | water | water | 18.0 | 124 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 601 (UniProt: P05804)
| PDB | External Database | Details |
|---|---|---|
| Ser -1 | - | expression tag |
| His 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 138198.6 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 839.0 | |
| All* | Total formula weight | 139037.6 |
