6H7F
Crystal structure of BauA, the Ferric preacinetobactin receptor from Acinetobacter baumannii in complex with Fe3+-Preacinetobactin-acinetobactin
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 (A, B, C) | BauA | polymer | 706 | 76346.5 | 3 | UniProt (Q76HJ9) Pfam (PF07715) Pfam (PF00593) | Acinetobacter baumannii | Probable ferric acinetobactin receptor |
| 2 | AA, CB, D (B, C, A) | FE (III) ION | non-polymer | 55.8 | 3 | Chemie (FE) | |||
| 3 | BA, DB, E (B, C, A) | (4~{S},5~{R})-2-[2,3-bis(oxidanyl)phenyl]-~{N}-[2-(1~{H}-imidazol-4-yl)ethyl]-5-methyl-~{N}-oxidanyl-4,5-dihydro-1,3-oxazole-4-carboxamide | non-polymer | 346.3 | 3 | Chemie (FV8) | |||
| 4 | F (A) | ~{N}-[(4~{S},5~{S})-2-[2-(1~{H}-imidazol-4-yl)ethyl]-5-methyl-3-oxidanylidene-1,2-oxazolidin-4-yl]-2,3-bis(oxidanyl)benzamide | non-polymer | 346.3 | 1 | Chemie (OPV) | |||
| 5 | CA, EB, G (B, C, A) | ~{N}-[(4~{S},5~{R})-2-[2-(1~{H}-imidazol-4-yl)ethyl]-5-methyl-3-oxidanylidene-1,2-oxazolidin-4-yl]-2,3-bis(oxidanyl)benzamide | non-polymer | 346.3 | 3 | Chemie (OPZ) | |||
| 6 | DA, EA, FA, FB, GA... (B, C, A) | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | non-polymer | 306.4 | 28 | Chemie (C8E) | |||
| 7 | AB, AC, BB, BC, CC... (B, C, A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 43 | Chemie (EDO) | |||
| 8 | GC, HC, IC (A, B, C) | water | water | 18.0 | 752 | Chemie (HOH) |
Sequence modifications
A, B, C: 1 - 703 (UniProt: Q76HJ9)
| PDB | External Database | Details |
|---|---|---|
| Gly -2 | - | expression tag |
| Ala -1 | - | expression tag |
| Met 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 229039.5 | |
| Non-Polymers* | Number of molecules | 81 |
| Total formula weight | 13841.1 | |
| All* | Total formula weight | 242880.6 |
