8RKY
X-ray structure of the drug binding domain of AlbA in complex with the KMR-14-14 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 (BBB, CCC, AAA) | Albicidin resistance protein | polymer | 224 | 26081.4 | 3 | UniProt (Q8KRS7) | Klebsiella oxytoca | |
| 2 | D, G, I, J (BBB, CCC, AAA) | ethyl 4-[[5-[[4-[4-[[(6~{a}~{S})-2-methoxy-11-oxidanylidene-6~{a},7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-benzothiophen-2-yl]carbonylamino]-1-methyl-imidazole-2-carboxylate | non-polymer | 780.8 | 4 | Chemie (A1H1R) | |||
| 3 | E, H (BBB, CCC) | ~{S}-[(2~{S},3~{S})-2,3-bis(oxidanyl)-4-sulfanyl-butyl] 4-[[5-[[4-[4-[[(6~{a}~{S})-2-methoxy-11-oxidanylidene-6~{a},7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-benzothiophen-2-yl]carbonylamino]-1-methyl-imidazole-2-carbothioate | non-polymer | 889.0 | 2 | Chemie (A1H1Q) | |||
| 4 | F, K, L (BBB, AAA) | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL | non-polymer | 154.3 | 3 | Chemie (DTV) | |||
| 5 | M, N, O (BBB, CCC, AAA) | water | water | 18.0 | 226 | Chemie (HOH) |
Sequence modifications
BBB, CCC, AAA: 1 - 221 (UniProt: Q8KRS7)
| PDB | External Database | Details |
|---|---|---|
| Gly 0 | - | expression tag |
| Gly 222 | - | expression tag |
| Ser 223 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 78244.2 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 5364.2 | |
| All* | Total formula weight | 83608.4 |
