9QBM
X-ray structure of the drug binding domain of AlbA in complex with the KMR-04-177 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 (C, A, B) | Albicidin resistance protein | polymer | 224 | 26081.4 | 3 | UniProt (Q8KRS7) | Klebsiella oxytoca | |
| 2 | D, G, H, N, O (C, A, B) | 4-[[(6~{S},6~{a}~{S})-2-methoxy-6-oxidanyl-11-oxidanylidene-5,6,6~{a},7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]butanamide | non-polymer | 523.6 | 5 | Chemie (A1I47) | |||
| 3 | E (C) | 4-[[(6~{a}~{S})-2-methoxy-11-oxidanylidene-6~{a},7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]butanamide | non-polymer | 505.6 | 1 | Chemie (A1I46) | |||
| 4 | F, I, J, P (C, A, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 4 | Chemie (EDO) | |||
| 5 | K, L, M (A) | SULFATE ION | non-polymer | 96.1 | 3 | Chemie (SO4) | |||
| 6 | Q, R, S (C, A, B) | water | water | 18.0 | 37 | Chemie (HOH) |
Sequence modifications
C, A, B: 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 | 3 |
| Total formula weight | 78244.2 | |
| Non-Polymers* | Number of molecules | 13 |
| Total formula weight | 3660.2 | |
| All* | Total formula weight | 81904.4 |
