6ZO6
Minocycline binding to the deep binding pocket of AcrB-G619P
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 | Multidrug efflux pump subunit AcrB | polymer | 1057 | 114776.4 | 3 | UniProt (P31224) Pfam (PF00873) In PDB | Escherichia coli K-12 | AcrAB-TolC multidrug efflux pump subunit AcrB,Acridine resistance protein B |
| 2 | D, E | DARPIN | polymer | 169 | 18317.6 | 2 | synthetic construct | ||
| 3 | C, A, B | DODECYL-BETA-D-MALTOSIDE | non-polymer | 510.6 | 6 | Chemie (LMT) | |||
| 4 | C, A | N-OCTANE | non-polymer | 114.2 | 3 | Chemie (OCT) | |||
| 5 | B, C, A | DECYLAMINE-N,N-DIMETHYL-N-OXIDE | non-polymer | 201.3 | 5 | Chemie (DDQ) | |||
| 6 | B, E, A, C | GLYCEROL | non-polymer | 92.1 | 14 | Chemie (GOL) | |||
| 7 | A, C | DODECANE | non-polymer | 170.3 | 3 | Chemie (D12) | |||
| 8 | B, A, C | HEXANE | non-polymer | 86.2 | 6 | Chemie (HEX) | |||
| 9 | C, D, B, A | 1,2-ETHANEDIOL | non-polymer | 62.1 | 24 | Chemie (EDO) | |||
| 10 | C, A | TRIETHYLENE GLYCOL | non-polymer | 150.2 | 2 | Chemie (PGE) | |||
| 11 | B | (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE | non-polymer | 457.5 | 1 | Chemie (MIY) | |||
| 12 | B | (2S)-3-hydroxypropane-1,2-diyl didecanoate | non-polymer | 400.6 | 1 | Chemie (DDR) | |||
| 13 | B, C | DECANE | non-polymer | 142.3 | 5 | Chemie (D10) | |||
| 14 | B, C | CHLORIDE ION | non-polymer | 35.5 | 3 | Chemie (CL) | |||
| 15 | B | PENTADECANE | non-polymer | 212.4 | 2 | Chemie (MYS) | |||
| 16 | B | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 1 | Chemie (PG4) | |||
| 17 | B | Octadecane | non-polymer | 254.5 | 1 | Chemie (8K6) | |||
| 18 | B | HEXADECANE | non-polymer | 226.4 | 1 | Chemie (R16) | |||
| 19 | B | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 20 | C | TETRADECANE | non-polymer | 198.4 | 1 | Chemie (C14) | |||
| 21 | C | PHOSPHATIDYLETHANOLAMINE | non-polymer | 734.0 | 1 | Chemie (PTY) | |||
| 22 | C | (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate | non-polymer | 453.6 | 1 | Chemie (LPX) | |||
| 23 | C | PENTAETHYLENE GLYCOL | non-polymer | 238.3 | 1 | Chemie (1PE) | |||
| 24 | water | water | 18.0 | 1188 | Chemie (HOH) |
Sequence modifications
A, B, C: 1 - 1049 (UniProt: P31224)
| PDB | External Database | Details |
|---|---|---|
| Pro 619 | Gly 619 | 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 | 83 |
| Total formula weight | 13016.6 | |
| All* | Total formula weight | 393980.8 |
