6ZO8
Minocycline binding to the deep binding pocket of AcrB-G621P
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 | F, G, H, I, J... (A, C, B) | DODECYL-BETA-D-MALTOSIDE | non-polymer | 510.6 | 9 | Chemie (LMT) | |||
| 4 | AA, AB, K, L, SA... (B, C, A) | GLYCEROL | non-polymer | 92.1 | 16 | Chemie (GOL) | |||
| 5 | BA, BB, CA, CB, DB... (B, C, A) | DECANE | non-polymer | 142.3 | 7 | Chemie (D10) | |||
| 6 | GB, O (C, A) | TETRADECANE | non-polymer | 198.4 | 2 | Chemie (C14) | |||
| 7 | GA, HA, IA, JA, NB... (B, C, A, D, E) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 12 | Chemie (EDO) | |||
| 8 | R (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) | |||
| 9 | S (B) | DODECYL-ALPHA-D-MALTOSIDE | non-polymer | 510.6 | 1 | Chemie (LMU) | |||
| 10 | RA, U (C, B) | PHOSPHATIDYLETHANOLAMINE | non-polymer | 734.0 | 2 | Chemie (PTY) | |||
| 11 | V (B) | (2S)-3-hydroxypropane-1,2-diyl didecanoate | non-polymer | 400.6 | 1 | Chemie (DDR) | |||
| 12 | DA, EB, FB (B, C) | N-OCTANE | non-polymer | 114.2 | 3 | Chemie (OCT) | |||
| 13 | EA, HB, IB (B, C) | DODECANE | non-polymer | 170.3 | 3 | Chemie (D12) | |||
| 14 | FA, LB, MB (B, C) | HEXANE | non-polymer | 86.2 | 3 | Chemie (HEX) | |||
| 15 | KA, PB, QB (B, C) | SULFATE ION | non-polymer | 96.1 | 3 | Chemie (SO4) | |||
| 16 | LA (B) | DECYLAMINE-N,N-DIMETHYL-N-OXIDE | non-polymer | 201.3 | 1 | Chemie (DDQ) | |||
| 17 | MA (B) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 18 | NA (B) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 19 | JB, KB (C) | (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate | non-polymer | 453.6 | 2 | Chemie (LPX) | |||
| 20 | VB, WB, XB, YB, ZB (A, B, C, D, E) | water | water | 18.0 | 412 | Chemie (HOH) |
Sequence modifications
A, B, C: 1 - 1049 (UniProt: P31224)
| PDB | External Database | Details |
|---|---|---|
| Pro 621 | Gly 621 | 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 | 68 |
| Total formula weight | 13610.7 | |
| All* | Total formula weight | 394574.9 |
