9I3G
X-ray structure of the drug binding domain of AlbA in complex with the KMR-04-154 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, B, C (B, C, A) | Albicidin resistance protein | polymer | 222 | 25937.3 | 3 | UniProt (Q8KRS7) | Klebsiella oxytoca | |
| 2 | D, E (B) | methyl 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]furan-2-carboxylate | non-polymer | 549.6 | 2 | Chemie (A1I1F) | |||
| 3 | F, G, H, I (C, A) | methyl 4-[4-[4-[[(6aS)-2-methoxy-11-oxidanylidene-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]phenyl]furan-2-carboxylate | non-polymer | 531.6 | 4 | Chemie (A1IZN) | |||
| 4 | J, K, L (B, C, A) | water | water | 18.0 | 108 | Chemie (HOH) |
Sequence modifications
B, C, A: 2 - 222 (UniProt: Q8KRS7)
| PDB | External Database | Details |
|---|---|---|
| Gly 1 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 77811.8 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 3225.4 | |
| All* | Total formula weight | 81037.2 |
