9IC9
X-ray structure of the drug binding domain of AlbA in complex with the KMR-04-165 compound of the pyrrolobenzodiazepines class
This is a non-PDB format compatible entry.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Albicidin resistance protein | polymer | 224 | 26081.4 | 1 | UniProt (Q8KRS7) | Klebsiella oxytoca | |
| 2 | B (A) | 4-[4-[4-[[(6R,6aS)-2-methoxy-6-oxidanyl-11-oxidanylidene-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]phenyl]-1-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrole-2-carboxamide | non-polymer | 721.8 | 1 | Chemie (A1I3X) | |||
| 3 | C (A) | 4-[4-[4-[[(6S,6aS)-2-methoxy-6-oxidanyl-11-oxidanylidene-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]phenyl]-1-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrole-2-carboxamide | non-polymer | 721.8 | 1 | Chemie (A1I3W) | |||
| 4 | D, E, F (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 3 | Chemie (EDO) | |||
| 5 | G (A) | water | water | 18.0 | 126 | Chemie (HOH) |
Sequence modifications
A: 2 - 222 (UniProt: Q8KRS7)
| PDB | External Database | Details |
|---|---|---|
| Gly 1 | - | expression tag |
| Gly 223 | - | expression tag |
| Ser 224 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 26081.4 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 1629.9 | |
| All* | Total formula weight | 27711.3 |
