6ZOC
Erythromycin binding to the access pocket of AcrB-G616P L protomer and 3-formylrifamycin SV binding to the access pocket of AcrB-G616P T protomer
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 | 114776.4 | 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 | CA, F (C, A) | TETRADECANE | non-polymer | 198.4 | 2 | Chemie (C14) | |||
| 4 | AA, G, HA, R, V (C, A, B) | DODECYL-BETA-D-MALTOSIDE | non-polymer | 510.6 | 5 | Chemie (LMT) | |||
| 5 | H (A) | ERYTHROMYCIN A | non-polymer | 733.9 | 1 | Chemie (ERY) | |||
| 6 | GA, I, IA, J, JA... (C, A, E, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 12 | Chemie (EDO) | |||
| 7 | EA, FA, K, L, P (C, A) | GLYCEROL | non-polymer | 92.1 | 5 | Chemie (GOL) | |||
| 8 | O, W (A, B) | DODECANE | non-polymer | 170.3 | 2 | Chemie (D12) | |||
| 9 | BA, T (C, B) | N-OCTANE | non-polymer | 114.2 | 2 | Chemie (OCT) | |||
| 10 | NA, U (C, B) | HEXANE | non-polymer | 86.2 | 2 | Chemie (HEX) | |||
| 11 | X (B) | (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptam ethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate | non-polymer | 725.8 | 1 | Chemie (3YI) | |||
| 12 | Y (B) | DECYLAMINE-N,N-DIMETHYL-N-OXIDE | non-polymer | 201.3 | 1 | Chemie (DDQ) | |||
| 13 | OA, Z (D, B) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 14 | DA (C) | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 1 | Chemie (PG4) | |||
| 15 | MA (C) | PHOSPHATIDYLETHANOLAMINE | non-polymer | 734.0 | 1 | Chemie (PTY) | |||
| 16 | QA, RA, SA, TA, UA (A, B, C, D, E) | water | water | 18.0 | 189 | Chemie (HOH) |
Sequence modifications
A, B, C: 1 - 1049 (UniProt: P31224)
| PDB | External Database | Details |
|---|---|---|
| Pro 616 | Gly 616 | engineered mutation |
| 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 | 380964.2 | |
| Non-Polymers* | Number of molecules | 37 |
| Total formula weight | 7678.1 | |
| All* | Total formula weight | 388642.2 |
