2J8S
Drug Export Pathway of Multidrug Exporter AcrB Revealed by DARPin Inhibitors
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 | 8 |
| Details | BINDING SITE FOR RESIDUE LMT A 3046 |
| Chain | Residue |
| A | ILE27 |
| A | LEU28 |
| A | LYS29 |
| A | VAL32 |
| A | VAL341 |
| A | LEU377 |
| A | LMU3049 |
| B | LMT3037 |
| site_id | AC2 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE LMT A 3047 |
| Chain | Residue |
| A | GLY444 |
| A | MET447 |
| A | VAL448 |
| A | ALA451 |
| A | VAL883 |
| A | VAL884 |
| A | CYS887 |
| A | ALA890 |
| A | LEU891 |
| C | ARG8 |
| A | GLY440 |
| site_id | AC3 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE LMT A 3048 |
| Chain | Residue |
| A | LEU449 |
| A | VAL452 |
| A | PHE453 |
| A | TYR467 |
| A | PHE556 |
| A | SER561 |
| A | PHE563 |
| A | GLY870 |
| A | ASN871 |
| A | GLN872 |
| A | TYR877 |
| A | ASN923 |
| A | LEU932 |
| A | ILE935 |
| site_id | AC4 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE LMU A 3049 |
| Chain | Residue |
| A | ILE335 |
| A | HIS338 |
| A | VAL341 |
| A | LYS342 |
| A | LEU344 |
| A | VAL345 |
| A | ILE348 |
| A | ASP633 |
| A | TRP634 |
| A | ALA635 |
| A | LMT3046 |
| site_id | AC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE LMT B 3035 |
| Chain | Residue |
| B | TYR527 |
| B | SER530 |
| B | GLY533 |
| B | ARG536 |
| B | ARG540 |
| B | TYR541 |
| D | ASP72 |
| site_id | AC6 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE LMT B 3036 |
| Chain | Residue |
| A | ARG8 |
| A | PHE11 |
| A | ILE18 |
| A | ILE19 |
| B | GLY440 |
| B | VAL443 |
| B | GLY444 |
| B | CYS887 |
| B | ALA890 |
| B | LEU891 |
| site_id | AC7 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE LMT B 3037 |
| Chain | Residue |
| A | ILE18 |
| A | LEU21 |
| A | LEU25 |
| A | LYS29 |
| A | LMT3046 |
| B | GLN872 |
| B | SER875 |
| B | LEU876 |
| B | ILE879 |
| B | VAL883 |
| B | LEU886 |
| B | CYS887 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE LMT C 3042 |
| Chain | Residue |
| C | GLU339 |
| C | ILE991 |
| C | SER992 |
| C | THR993 |
| site_id | AC9 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE LMT C 3043 |
| Chain | Residue |
| C | SER530 |
| C | ILE534 |
| C | ARG536 |
| C | SER537 |
| C | ARG540 |
| C | TYR541 |
| C | LEU544 |
| C | ILE547 |
| site_id | BC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE LMT C 3044 |
| Chain | Residue |
| B | LYS29 |
| C | PHE458 |
| C | ASN871 |
| C | SER875 |
| site_id | BC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE LMT C 3046 |
| Chain | Residue |
| C | GLY97 |
| C | ALA457 |
| C | PHE458 |
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 |
