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 (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 | EB, F, G, H, X... (C, A, B) | DODECYL-BETA-D-MALTOSIDE | non-polymer | 510.6 | 6 | Chemie (LMT) | |||
| 4 | GB, HB, I (C, A) | N-OCTANE | non-polymer | 114.2 | 3 | Chemie (OCT) | |||
| 5 | AA, BA, IB, J, JB (B, C, A) | DECYLAMINE-N,N-DIMETHYL-N-OXIDE | non-polymer | 201.3 | 5 | Chemie (DDQ) | |||
| 6 | FA, GA, HA, IA, JC... (B, E, A, C) | GLYCEROL | non-polymer | 92.1 | 14 | Chemie (GOL) | |||
| 7 | Q, RB, SB (A, C) | DODECANE | non-polymer | 170.3 | 3 | Chemie (D12) | |||
| 8 | KA, LA, MA, R, TB... (B, A, C) | HEXANE | non-polymer | 86.2 | 6 | Chemie (HEX) | |||
| 9 | AC, BC, CC, DC, EC... (C, D, B, A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 24 | Chemie (EDO) | |||
| 10 | FC, V (C, A) | TRIETHYLENE GLYCOL | non-polymer | 150.2 | 2 | Chemie (PGE) | |||
| 11 | W (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 | Z (B) | (2S)-3-hydroxypropane-1,2-diyl didecanoate | non-polymer | 400.6 | 1 | Chemie (DDR) | |||
| 13 | CA, DA, EA, KB, LB (B, C) | DECANE | non-polymer | 142.3 | 5 | Chemie (D10) | |||
| 14 | JA, PB, QB (B, C) | CHLORIDE ION | non-polymer | 35.5 | 3 | Chemie (CL) | |||
| 15 | NA, OA (B) | PENTADECANE | non-polymer | 212.4 | 2 | Chemie (MYS) | |||
| 16 | PA (B) | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 1 | Chemie (PG4) | |||
| 17 | AB (B) | Octadecane | non-polymer | 254.5 | 1 | Chemie (8K6) | |||
| 18 | BB (B) | HEXADECANE | non-polymer | 226.4 | 1 | Chemie (R16) | |||
| 19 | CB (B) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 20 | DB (C) | TETRADECANE | non-polymer | 198.4 | 1 | Chemie (C14) | |||
| 21 | FB (C) | PHOSPHATIDYLETHANOLAMINE | non-polymer | 734.0 | 1 | Chemie (PTY) | |||
| 22 | VB (C) | (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate | non-polymer | 453.6 | 1 | Chemie (LPX) | |||
| 23 | WB (C) | PENTAETHYLENE GLYCOL | non-polymer | 238.3 | 1 | Chemie (1PE) | |||
| 24 | KC, LC, MC, NC, OC (A, B, C, D, E) | 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 |
