4DX5
Transport of drugs by the multidrug transporter AcrB involves an access and a deep binding pocket that are separated by a switch-loop
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) | Acriflavine resistance protein B | polymer | 1057 | 114736.3 | 3 | UniProt (P31224) Pfam (PF00873) | Escherichia coli | |
| 2 | D, E (D, E) | DARPIN | polymer | 169 | 18317.6 | 2 | SYNTHETIC CONSTRUCT (ARTIFICIAL GENE) | ||
| 3 | BB, CA, CB, DB, EA... (D, B, E, A, C) | GLYCEROL | non-polymer | 92.1 | 15 | Chemie (GOL) PubChem (753) | |||
| 4 | AA, G, H, I, IA... (B, A, C) | DODECYL-BETA-D-MALTOSIDE | non-polymer | 510.6 | 8 | Chemie (LMT) | |||
| 5 | J, JA, K, LA, MA... (A, C) | N-OCTANE | non-polymer | 114.2 | 7 | Chemie (OCT) PubChem (356) | |||
| 6 | AB, L, NA, PA, U... (C, A, B) | DECANE | non-polymer | 142.3 | 6 | Chemie (D10) PubChem (15600) | |||
| 7 | BA, M, QA, TA, X (B, A, C) | HEXANE | non-polymer | 86.2 | 5 | Chemie (HEX) PubChem (8058) | |||
| 8 | KA, OA, P, V (C, A, B) | DODECANE | non-polymer | 170.3 | 4 | Chemie (D12) PubChem (8182) PubChem (5359624) | |||
| 9 | S (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) | |||
| 10 | Y (B) | TETRADECANE | non-polymer | 198.4 | 1 | Chemie (C14) PubChem (12389) | |||
| 11 | DA (B) | DODECYL-ALPHA-D-MALTOSIDE | non-polymer | 510.6 | 1 | Chemie (LMU) PubChem (16220143) PubChem (114880) PubChem (24802120) PubChem (25021193) PubChem (44119948) PubChem (445456) PubChem (46936627) PubChem (53393702) PubChem (56845466) PubChem (3481630) PubChem (58112562) PubChem (58253045) PubChem (60087035) PubChem (59615220) PubChem (68322761) PubChem (68338004) PubChem (68441652) PubChem (70796428) PubChem (70813879) PubChem (70839937) PubChem (2802066) PubChem (75487624) PubChem (89796216) PubChem (9849225) PubChem (91094859) PubChem (91608950) PubChem (10413991) PubChem (90817611) PubChem (95566088) PubChem (95566089) PubChem (95566090) PubChem (96327540) PubChem (97038234) PubChem (97038235) PubChem (97294875) PubChem (98046621) PubChem (98046622) PubChem (98046623) PubChem (100976848) PubChem (101111379) PubChem (101111381) PubChem (95566087) PubChem (102565427) PubChem (102219025) PubChem (117716045) PubChem (117753833) PubChem (118443377) PubChem (123281924) PubChem (124184997) PubChem (124196217) PubChem (124196220) PubChem (126735853) PubChem (126735860) PubChem (129720403) PubChem (140505128) PubChem (153835411) PubChem (134694723) PubChem (155885597) PubChem (140479759) PubChem (140841257) PubChem (169619620) PubChem (154810097) PubChem (159812235) PubChem (173767704) PubChem (173885518) PubChem (163184859) | |||
| 12 | RA (C) | nonane | non-polymer | 128.3 | 1 | Chemie (DD9) PubChem (8141) | |||
| 13 | YA (C) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 14 | ZA (C) | UNDECANE | non-polymer | 156.3 | 1 | Chemie (UND) PubChem (14257) | |||
| 15 | EB, FB, GB, HB, IB (A, B, C, D, E) | water | water | 18.0 | 1783 | 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 | 51 |
| Total formula weight | 9778.9 | |
| All* | Total formula weight | 390622.9 |
