9HAO
BDM91531 inhibitor bound to the transmembrane domain of AcrB
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) | Multidrug efflux pump subunit AcrB | polymer | 1057 | 114736.3 | 3 | UniProt (P31224) Pfam (PF00873) | Escherichia coli K-12 | AcrAB-TolC multidrug efflux pump subunit AcrB,Acridine resistance protein B |
| 2 | D, E (D, E) | DARPIN | polymer | 169 | 18317.6 | 2 | synthetic construct | ||
| 3 | F, G, IA, J, JA... (A, B, C) | DODECYL-BETA-D-MALTOSIDE | non-polymer | 510.6 | 8 | Chemie (LMT) | |||
| 4 | AC, GC, H, KB, L... (C, A, B) | N-OCTANE | non-polymer | 114.2 | 8 | Chemie (OCT) | |||
| 5 | I, SB (A, C) | TETRADECANE | non-polymer | 198.4 | 2 | Chemie (C14) | |||
| 6 | FB, GB, HA, HB, IB... (B, A, C) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 14 | Chemie (EDO) | |||
| 7 | AB, BC, CC, DA, DC... (B, C, A, D) | GLYCEROL | non-polymer | 92.1 | 39 | Chemie (GOL) | |||
| 8 | BB, CB, W, Y (B, A) | DODECANE | non-polymer | 170.3 | 4 | Chemie (D12) | |||
| 9 | BA, DB, EB, JB, MC... (A, B, C) | HEXANE | non-polymer | 86.2 | 8 | Chemie (HEX) | |||
| 10 | AA (A) | [3-(3-chloranyl-2-piperazin-1-yl-quinolin-6-yl)phenyl]methanamine | non-polymer | 352.9 | 1 | Chemie (XE9) | |||
| 11 | CA, KA (A, B) | DECANE | non-polymer | 142.3 | 2 | Chemie (D10) | |||
| 12 | NA (B) | (2S)-3-hydroxypropane-1,2-diyl didecanoate | non-polymer | 400.6 | 1 | Chemie (DDR) | |||
| 13 | OC, UA (C, B) | DECYLAMINE-N,N-DIMETHYL-N-OXIDE | non-polymer | 201.3 | 2 | Chemie (DDQ) | |||
| 14 | FC, VA, ZB (C, B) | SULFATE ION | non-polymer | 96.1 | 3 | Chemie (SO4) | |||
| 15 | RB, TB (C) | (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate | non-polymer | 453.6 | 2 | Chemie (LPX) | |||
| 16 | VC, WC, XC, YC, ZC (A, B, C, D, E) | water | water | 18.0 | 1597 | Chemie (HOH) |
Sequence modifications
A, B, C: 1 - 1049 (UniProt: P31224)
| PDB | External Database | Details |
|---|---|---|
| Leu 1050 | - | expression tag |
| Glu 1051 | - | expression tag |
| His 1052 | - | expression tag |
| His 1053 | - | expression tag |
| His 1054 | - | expression tag |
| His 1055 | - | expression tag |
| His 1056 | - | expression tag |
| His 1057 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 5 |
| Total formula weight | 380844.0 | |
| Non-Polymers* | Number of molecules | 94 |
| Total formula weight | 13862.9 | |
| All* | Total formula weight | 394706.9 |
