4DX5
Transport of drugs by the multidrug transporter AcrB involves an access and a deep binding pocket that are separated by a switch-loop
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0005515 | molecular_function | protein binding |
| A | 0005886 | cellular_component | plasma membrane |
| A | 0009410 | biological_process | response to xenobiotic stimulus |
| A | 0009636 | biological_process | response to toxic substance |
| A | 0015125 | molecular_function | bile acid transmembrane transporter activity |
| A | 0015562 | molecular_function | efflux transmembrane transporter activity |
| A | 0015567 | molecular_function | alkane transmembrane transporter activity |
| A | 0015721 | biological_process | bile acid and bile salt transport |
| A | 0015895 | biological_process | alkane transport |
| A | 0015908 | biological_process | fatty acid transport |
| A | 0016020 | cellular_component | membrane |
| A | 0022857 | molecular_function | transmembrane transporter activity |
| A | 0042802 | molecular_function | identical protein binding |
| A | 0042908 | biological_process | xenobiotic transport |
| A | 0042910 | molecular_function | xenobiotic transmembrane transporter activity |
| A | 0042930 | biological_process | enterobactin transport |
| A | 0042931 | molecular_function | enterobactin transmembrane transporter activity |
| A | 0046677 | biological_process | response to antibiotic |
| A | 0055085 | biological_process | transmembrane transport |
| A | 0098567 | cellular_component | periplasmic side of plasma membrane |
| A | 0140330 | biological_process | xenobiotic detoxification by transmembrane export across the cell outer membrane |
| A | 1990281 | cellular_component | efflux pump complex |
| B | 0005515 | molecular_function | protein binding |
| B | 0005886 | cellular_component | plasma membrane |
| B | 0009410 | biological_process | response to xenobiotic stimulus |
| B | 0009636 | biological_process | response to toxic substance |
| B | 0015125 | molecular_function | bile acid transmembrane transporter activity |
| B | 0015562 | molecular_function | efflux transmembrane transporter activity |
| B | 0015567 | molecular_function | alkane transmembrane transporter activity |
| B | 0015721 | biological_process | bile acid and bile salt transport |
| B | 0015895 | biological_process | alkane transport |
| B | 0015908 | biological_process | fatty acid transport |
| B | 0016020 | cellular_component | membrane |
| B | 0022857 | molecular_function | transmembrane transporter activity |
| B | 0042802 | molecular_function | identical protein binding |
| B | 0042908 | biological_process | xenobiotic transport |
| B | 0042910 | molecular_function | xenobiotic transmembrane transporter activity |
| B | 0042930 | biological_process | enterobactin transport |
| B | 0042931 | molecular_function | enterobactin transmembrane transporter activity |
| B | 0046677 | biological_process | response to antibiotic |
| B | 0055085 | biological_process | transmembrane transport |
| B | 0098567 | cellular_component | periplasmic side of plasma membrane |
| B | 0140330 | biological_process | xenobiotic detoxification by transmembrane export across the cell outer membrane |
| B | 1990281 | cellular_component | efflux pump complex |
| C | 0005515 | molecular_function | protein binding |
| C | 0005886 | cellular_component | plasma membrane |
| C | 0009410 | biological_process | response to xenobiotic stimulus |
| C | 0009636 | biological_process | response to toxic substance |
| C | 0015125 | molecular_function | bile acid transmembrane transporter activity |
| C | 0015562 | molecular_function | efflux transmembrane transporter activity |
| C | 0015567 | molecular_function | alkane transmembrane transporter activity |
| C | 0015721 | biological_process | bile acid and bile salt transport |
| C | 0015895 | biological_process | alkane transport |
| C | 0015908 | biological_process | fatty acid transport |
| C | 0016020 | cellular_component | membrane |
| C | 0022857 | molecular_function | transmembrane transporter activity |
| C | 0042802 | molecular_function | identical protein binding |
| C | 0042908 | biological_process | xenobiotic transport |
| C | 0042910 | molecular_function | xenobiotic transmembrane transporter activity |
| C | 0042930 | biological_process | enterobactin transport |
| C | 0042931 | molecular_function | enterobactin transmembrane transporter activity |
| C | 0046677 | biological_process | response to antibiotic |
| C | 0055085 | biological_process | transmembrane transport |
| C | 0098567 | cellular_component | periplasmic side of plasma membrane |
| C | 0140330 | biological_process | xenobiotic detoxification by transmembrane export across the cell outer membrane |
| C | 1990281 | cellular_component | efflux pump complex |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL A 1101 |
| Chain | Residue |
| A | TYR758 |
| A | ASP761 |
| A | LYS770 |
| A | HOH1225 |
| A | HOH1299 |
| A | HOH1629 |
| B | GLN67 |
| site_id | AC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE LMT A 1102 |
| Chain | Residue |
| A | ILE348 |
| A | PHE380 |
| A | HOH1398 |
| A | HOH1465 |
| B | LMT1110 |
| A | VAL32 |
| A | VAL341 |
| site_id | AC3 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE LMT A 1103 |
| Chain | Residue |
| A | TYR467 |
| A | PHE556 |
| A | SER561 |
| A | GLY870 |
| A | ASN871 |
| A | TYR877 |
| A | LEU881 |
| A | ASN923 |
| A | GLN928 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE LMT A 1104 |
| Chain | Residue |
| A | GLY440 |
| A | CYS887 |
| A | ALA890 |
| A | LEU891 |
| C | ARG8 |
| C | ILE15 |
| site_id | AC5 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE OCT A 1105 |
| Chain | Residue |
| A | PHE885 |
| A | TRP895 |
| site_id | AC6 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE OCT A 1106 |
| Chain | Residue |
| A | TRP895 |
| site_id | AC7 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE D10 A 1107 |
| Chain | Residue |
| A | TRP13 |
| B | TRP895 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE HEX A 1108 |
| Chain | Residue |
| A | ASP566 |
| A | TRP634 |
| A | GLY994 |
| A | SER997 |
| site_id | AC9 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE LMT A 1109 |
| Chain | Residue |
| A | HIS338 |
| A | GLU339 |
| A | LYS342 |
| A | VAL345 |
| A | GLU346 |
| A | ILE349 |
| A | ASP633 |
| A | ALA635 |
| site_id | BC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL A 1110 |
| Chain | Residue |
| A | PRO50 |
| A | ARG185 |
| A | GLU273 |
| A | GLY755 |
| A | TYR772 |
| A | MET774 |
| A | HOH1658 |
| site_id | BC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL B 1101 |
| Chain | Residue |
| A | ARG168 |
| A | GLU309 |
| A | HOH1327 |
| B | LEU75 |
| B | ASN820 |
| site_id | BC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE D12 A 1111 |
| Chain | Residue |
| A | ARG8 |
| B | GLY440 |
| B | MET447 |
| B | LEU891 |
| site_id | BC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL B 1102 |
| Chain | Residue |
| B | LEU111 |
| B | MET115 |
| B | GLY126 |
| B | VAL127 |
| B | HOH1332 |
| C | GLN112 |
| C | PRO116 |
| site_id | BC5 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE MIY B 1103 |
| Chain | Residue |
| B | PHE178 |
| B | GLY179 |
| B | ASN274 |
| B | ASP276 |
| B | ILE277 |
| B | ALA279 |
| B | ARG620 |
| B | HOH1301 |
| B | HOH1327 |
| site_id | BC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE LMT B 1104 |
| Chain | Residue |
| B | SER530 |
| B | GLY533 |
| B | ARG536 |
| B | SER537 |
| B | ARG540 |
| B | TYR541 |
| site_id | BC7 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE D10 B 1105 |
| Chain | Residue |
| B | TRP895 |
| site_id | BC8 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE D12 B 1106 |
| Chain | Residue |
| B | PHE885 |
| B | PHE899 |
| site_id | BC9 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE D10 B 1107 |
| Chain | Residue |
| B | ASP301 |
| site_id | CC1 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE HEX B 1108 |
| Chain | Residue |
| B | PHE4 |
| site_id | CC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE C14 B 1109 |
| Chain | Residue |
| B | TRP13 |
| B | HOH1478 |
| C | TRP895 |
| site_id | CC3 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE LMT B 1110 |
| Chain | Residue |
| B | LEU876 |
| A | LEU28 |
| A | LYS29 |
| A | LMT1102 |
| B | SER450 |
| B | PHE458 |
| B | ASN871 |
| B | GLN872 |
| site_id | CC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE LMT B 1111 |
| Chain | Residue |
| B | TYR467 |
| B | PHE556 |
| B | GLU866 |
| B | ASN923 |
| B | GLN928 |
| site_id | CC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL B 1113 |
| Chain | Residue |
| B | PHE727 |
| B | PRO783 |
| B | SER805 |
| B | SER806 |
| B | SER807 |
| B | HOH1443 |
| B | HOH1613 |
| site_id | CC6 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE LMU B 1114 |
| Chain | Residue |
| B | ASP566 |
| B | PHE628 |
| B | PHE664 |
| B | PHE666 |
| B | ASN667 |
| B | LEU668 |
| B | PRO669 |
| B | VAL672 |
| site_id | CC7 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL B 1115 |
| Chain | Residue |
| B | ASN231 |
| B | ALA232 |
| B | SER233 |
| B | HOH1282 |
| C | SER84 |
| C | THR724 |
| C | HOH1436 |
| site_id | CC8 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL B 1116 |
| Chain | Residue |
| B | ARG239 |
| B | ASN760 |
| B | ASP761 |
| B | HOH1469 |
| C | PRO119 |
| C | GLN120 |
| C | GLU121 |
| site_id | CC9 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL B 1117 |
| Chain | Residue |
| A | ASN231 |
| A | SER233 |
| A | HOH1244 |
| B | SER84 |
| B | GLY581 |
| B | THR724 |
| B | PRO814 |
| B | HOH1359 |
| site_id | DC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL C 1101 |
| Chain | Residue |
| A | GLY581 |
| C | GLN218 |
| C | ASN231 |
| C | SER233 |
| C | HOH1446 |
| site_id | DC2 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE LMT C 1102 |
| Chain | Residue |
| C | SER530 |
| C | GLY533 |
| C | ARG536 |
| C | SER537 |
| C | ARG540 |
| C | TYR541 |
| C | PHE1020 |
| C | D101120 |
| C | HOH1714 |
| site_id | DC3 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE OCT C 1103 |
| Chain | Residue |
| C | TRP895 |
| site_id | DC4 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE D12 C 1104 |
| Chain | Residue |
| C | TRP13 |
| C | ILE17 |
| site_id | DC5 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE OCT C 1105 |
| Chain | Residue |
| C | SER894 |
| C | SER896 |
| C | LYS950 |
| site_id | DC6 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE OCT C 1106 |
| Chain | Residue |
| C | LEU891 |
| site_id | DC7 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE D10 C 1107 |
| Chain | Residue |
| C | MET1 |
| site_id | DC8 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE D12 C 1108 |
| Chain | Residue |
| C | PHE458 |
| site_id | DC9 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE D10 C 1109 |
| Chain | Residue |
| C | PHE458 |
| site_id | EC1 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE HEX C 1110 |
| Chain | Residue |
| C | SER476 |
| site_id | EC2 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE DD9 C 1111 |
| Chain | Residue |
| C | PHE388 |
| C | ARG468 |
| site_id | EC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL C 1114 |
| Chain | Residue |
| C | ASP566 |
| C | GLU567 |
| C | ASP568 |
| C | SER997 |
| C | GLY998 |
| C | HOH1643 |
| site_id | EC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL C 1115 |
| Chain | Residue |
| C | ARG185 |
| C | GLU273 |
| C | ASN274 |
| C | GLY755 |
| C | TYR772 |
| C | MET774 |
| C | HOH1438 |
| site_id | EC5 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL C 1117 |
| Chain | Residue |
| C | GLN151 |
| C | SER155 |
| C | GLY179 |
| C | SER180 |
| C | ASN274 |
| C | TYR275 |
| C | ILE277 |
| C | HOH1209 |
| C | HOH1249 |
| site_id | EC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 C 1118 |
| Chain | Residue |
| C | LYS55 |
| C | GLY691 |
| C | HIS692 |
| C | HOH1384 |
| C | HOH1580 |
| C | HOH1700 |
| site_id | EC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL D 201 |
| Chain | Residue |
| B | ASN700 |
| D | ARG23 |
| D | TRP57 |
| D | HIS59 |
| D | HOH334 |
| site_id | EC8 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE GOL E 201 |
| Chain | Residue |
| A | TYR811 |
| E | ARG23 |
| E | ASP44 |
| site_id | EC9 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE D10 C 1120 |
| Chain | Residue |
| C | TYR527 |
| C | LMT1102 |
| site_id | FC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL D 202 |
| Chain | Residue |
| B | HOH1230 |
| D | ASP143 |
| D | PHE145 |
| D | HOH322 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 462 |
| Details | TOPO_DOM: Cytoplasmic => ECO:0000269|PubMed:15919996 |
| Chain | Residue | Details |
| A | MET1-PRO9 | |
| B | GLU414-ILE438 | |
| B | ALA491-THR538 | |
| B | ALA889-PRO898 | |
| B | LEU944-LEU972 | |
| B | ILE1019-HIS1049 | |
| C | MET1-PRO9 | |
| C | LEU357-THR365 | |
| C | GLU414-ILE438 | |
| C | ALA491-THR538 | |
| C | ALA889-PRO898 | |
| A | LEU357-THR365 | |
| C | LEU944-LEU972 | |
| C | ILE1019-HIS1049 | |
| A | GLU414-ILE438 | |
| A | ALA491-THR538 | |
| A | ALA889-PRO898 | |
| A | LEU944-LEU972 | |
| A | ILE1019-HIS1049 | |
| B | MET1-PRO9 | |
| B | LEU357-THR365 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 54 |
| Details | TRANSMEM: Helical; Name=1 |
| Chain | Residue | Details |
| A | ILE10-LEU28 | |
| B | ILE10-LEU28 | |
| C | ILE10-LEU28 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 1932 |
| Details | TOPO_DOM: Periplasmic => ECO:0000269|PubMed:15919996 |
| Chain | Residue | Details |
| A | LYS29-SER336 | |
| B | PHE556-ASN871 | |
| B | ARG919-ASP924 | |
| B | THR993-GLY998 | |
| C | LYS29-SER336 | |
| C | PHE386-ASN391 | |
| C | PHE458-ALA465 | |
| C | PHE556-ASN871 | |
| C | ARG919-ASP924 | |
| C | THR993-GLY998 | |
| A | PHE386-ASN391 | |
| A | PHE458-ALA465 | |
| A | PHE556-ASN871 | |
| A | ARG919-ASP924 | |
| A | THR993-GLY998 | |
| B | LYS29-SER336 | |
| B | PHE386-ASN391 | |
| B | PHE458-ALA465 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 57 |
| Details | TRANSMEM: Helical; Name=2 |
| Chain | Residue | Details |
| A | ILE337-TYR356 | |
| B | ILE337-TYR356 | |
| C | ILE337-TYR356 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 57 |
| Details | TRANSMEM: Helical; Name=3 |
| Chain | Residue | Details |
| A | LEU366-ALA385 | |
| B | LEU366-ALA385 | |
| C | LEU366-ALA385 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 63 |
| Details | TRANSMEM: Helical; Name=4 |
| Chain | Residue | Details |
| A | THR392-VAL413 | |
| B | THR392-VAL413 | |
| C | THR392-VAL413 |
| site_id | SWS_FT_FI7 |
| Number of Residues | 54 |
| Details | TRANSMEM: Helical; Name=5 |
| Chain | Residue | Details |
| A | GLN439-ALA457 | |
| B | GLN439-ALA457 | |
| C | GLN439-ALA457 |
| site_id | SWS_FT_FI8 |
| Number of Residues | 72 |
| Details | TRANSMEM: Helical; Name=6 |
| Chain | Residue | Details |
| A | ILE466-PRO490 | |
| B | ILE466-PRO490 | |
| C | ILE466-PRO490 |
| site_id | SWS_FT_FI9 |
| Number of Residues | 48 |
| Details | TRANSMEM: Helical; Name=7 |
| Chain | Residue | Details |
| A | GLY539-LEU555 | |
| B | GLY539-LEU555 | |
| C | GLY539-LEU555 |
| site_id | SWS_FT_FI10 |
| Number of Residues | 48 |
| Details | TRANSMEM: Helical; Name=8 |
| Chain | Residue | Details |
| A | GLN872-LEU888 | |
| B | GLN872-LEU888 | |
| C | GLN872-LEU888 |
| site_id | SWS_FT_FI11 |
| Number of Residues | 57 |
| Details | TRANSMEM: Helical; Name=9 |
| Chain | Residue | Details |
| A | PHE899-PHE918 | |
| B | PHE899-PHE918 | |
| C | PHE899-PHE918 |
| site_id | SWS_FT_FI12 |
| Number of Residues | 54 |
| Details | TRANSMEM: Helical; Name=10 |
| Chain | Residue | Details |
| A | VAL925-ILE943 | |
| B | VAL925-ILE943 | |
| C | VAL925-ILE943 |
| site_id | SWS_FT_FI13 |
| Number of Residues | 57 |
| Details | TRANSMEM: Helical; Name=11 |
| Chain | Residue | Details |
| A | ARG973-SER992 | |
| B | ARG973-SER992 | |
| C | ARG973-SER992 |
| site_id | SWS_FT_FI14 |
| Number of Residues | 57 |
| Details | TRANSMEM: Helical; Name=12 |
| Chain | Residue | Details |
| A | ALA999-ALA1018 | |
| B | ALA999-ALA1018 | |
| C | ALA999-ALA1018 |
