6H7F
Crystal structure of BauA, the Ferric preacinetobactin receptor from Acinetobacter baumannii in complex with Fe3+-Preacinetobactin-acinetobactin
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0006811 | biological_process | monoatomic ion transport |
| A | 0006826 | biological_process | iron ion transport |
| A | 0009279 | cellular_component | cell outer membrane |
| A | 0015343 | molecular_function | siderophore-iron transmembrane transporter activity |
| A | 0015344 | molecular_function | siderophore uptake transmembrane transporter activity |
| A | 0015891 | biological_process | siderophore transport |
| A | 0033214 | biological_process | siderophore-iron import into cell |
| A | 0038023 | molecular_function | signaling receptor activity |
| B | 0006811 | biological_process | monoatomic ion transport |
| B | 0006826 | biological_process | iron ion transport |
| B | 0009279 | cellular_component | cell outer membrane |
| B | 0015343 | molecular_function | siderophore-iron transmembrane transporter activity |
| B | 0015344 | molecular_function | siderophore uptake transmembrane transporter activity |
| B | 0015891 | biological_process | siderophore transport |
| B | 0033214 | biological_process | siderophore-iron import into cell |
| B | 0038023 | molecular_function | signaling receptor activity |
| C | 0006811 | biological_process | monoatomic ion transport |
| C | 0006826 | biological_process | iron ion transport |
| C | 0009279 | cellular_component | cell outer membrane |
| C | 0015343 | molecular_function | siderophore-iron transmembrane transporter activity |
| C | 0015344 | molecular_function | siderophore uptake transmembrane transporter activity |
| C | 0015891 | biological_process | siderophore transport |
| C | 0033214 | biological_process | siderophore-iron import into cell |
| C | 0038023 | molecular_function | signaling receptor activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 3 |
| Details | binding site for residue FE A 801 |
| Chain | Residue |
| A | FV8802 |
| A | OPV803 |
| A | OPZ804 |
| site_id | AC2 |
| Number of Residues | 16 |
| Details | binding site for residue FV8 A 802 |
| Chain | Residue |
| A | LEU336 |
| A | TYR378 |
| A | ARG379 |
| A | LEU684 |
| A | FE801 |
| A | OPV803 |
| A | OPZ804 |
| A | EDO823 |
| A | HOH1006 |
| A | HOH1032 |
| A | TRP97 |
| A | TYR125 |
| A | ARG253 |
| A | TYR312 |
| A | TYR314 |
| A | GLN335 |
| site_id | AC3 |
| Number of Residues | 8 |
| Details | binding site for residue OPV A 803 |
| Chain | Residue |
| A | ARG253 |
| A | LEU684 |
| A | FE801 |
| A | FV8802 |
| A | OPZ804 |
| A | EDO823 |
| A | HOH911 |
| A | HOH1032 |
| site_id | AC4 |
| Number of Residues | 9 |
| Details | binding site for residue OPZ A 804 |
| Chain | Residue |
| A | ARG253 |
| A | LEU684 |
| A | FE801 |
| A | FV8802 |
| A | OPV803 |
| A | EDO823 |
| A | HOH911 |
| A | HOH998 |
| A | HOH1032 |
| site_id | AC5 |
| Number of Residues | 3 |
| Details | binding site for residue C8E A 805 |
| Chain | Residue |
| A | PHE224 |
| A | GLN307 |
| A | THR309 |
| site_id | AC6 |
| Number of Residues | 3 |
| Details | binding site for residue C8E A 807 |
| Chain | Residue |
| A | ASN604 |
| A | GLN605 |
| A | HOH1087 |
| site_id | AC7 |
| Number of Residues | 2 |
| Details | binding site for residue C8E A 808 |
| Chain | Residue |
| A | GLN510 |
| A | LEU512 |
| site_id | AC8 |
| Number of Residues | 2 |
| Details | binding site for residue C8E A 809 |
| Chain | Residue |
| A | GLY625 |
| A | VAL651 |
| site_id | AC9 |
| Number of Residues | 1 |
| Details | binding site for residue C8E A 810 |
| Chain | Residue |
| A | LYS506 |
| site_id | AD1 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 811 |
| Chain | Residue |
| A | LEU118 |
| A | PHE119 |
| A | SER344 |
| A | ALA345 |
| A | TYR368 |
| site_id | AD2 |
| Number of Residues | 3 |
| Details | binding site for residue EDO A 812 |
| Chain | Residue |
| A | VAL257 |
| A | ASN636 |
| A | ASN686 |
| site_id | AD3 |
| Number of Residues | 3 |
| Details | binding site for residue EDO A 813 |
| Chain | Residue |
| A | THR640 |
| A | LEU641 |
| A | SER642 |
| site_id | AD4 |
| Number of Residues | 6 |
| Details | binding site for residue EDO A 814 |
| Chain | Residue |
| A | ASN215 |
| A | THR271 |
| A | LEU272 |
| A | ASP394 |
| A | PRO395 |
| C | LYS265 |
| site_id | AD5 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 815 |
| Chain | Residue |
| A | SER534 |
| A | GLU554 |
| A | LYS587 |
| A | HOH902 |
| A | HOH1090 |
| site_id | AD6 |
| Number of Residues | 1 |
| Details | binding site for residue EDO A 816 |
| Chain | Residue |
| A | PHE420 |
| site_id | AD7 |
| Number of Residues | 3 |
| Details | binding site for residue EDO A 817 |
| Chain | Residue |
| A | SER279 |
| A | LYS313 |
| A | HOH996 |
| site_id | AD8 |
| Number of Residues | 2 |
| Details | binding site for residue EDO A 818 |
| Chain | Residue |
| A | LEU467 |
| A | TYR478 |
| site_id | AD9 |
| Number of Residues | 6 |
| Details | binding site for residue EDO A 819 |
| Chain | Residue |
| A | GLN39 |
| A | TYR68 |
| A | MET575 |
| A | GLY609 |
| A | EDO822 |
| A | HOH1010 |
| site_id | AE1 |
| Number of Residues | 7 |
| Details | binding site for residue EDO A 820 |
| Chain | Residue |
| A | VAL40 |
| A | ALA41 |
| A | PHE54 |
| A | THR61 |
| A | ILE62 |
| A | SER63 |
| A | HOH958 |
| site_id | AE2 |
| Number of Residues | 1 |
| Details | binding site for residue EDO A 821 |
| Chain | Residue |
| A | SER296 |
| site_id | AE3 |
| Number of Residues | 8 |
| Details | binding site for residue EDO A 822 |
| Chain | Residue |
| A | ALA36 |
| A | GLY37 |
| A | GLY38 |
| A | GLN39 |
| A | VAL40 |
| A | GLY566 |
| A | MET575 |
| A | EDO819 |
| site_id | AE4 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 823 |
| Chain | Residue |
| A | OPV803 |
| A | OPZ804 |
| A | HOH911 |
| A | ARG379 |
| A | FV8802 |
| site_id | AE5 |
| Number of Residues | 2 |
| Details | binding site for residue FE B 801 |
| Chain | Residue |
| B | FV8802 |
| B | OPZ803 |
| site_id | AE6 |
| Number of Residues | 14 |
| Details | binding site for residue FV8 B 802 |
| Chain | Residue |
| B | TRP97 |
| B | TYR125 |
| B | ARG253 |
| B | TYR312 |
| B | TYR314 |
| B | GLN335 |
| B | LEU336 |
| B | TYR378 |
| B | LEU684 |
| B | FE801 |
| B | OPZ803 |
| B | EDO828 |
| B | HOH954 |
| B | HOH981 |
| site_id | AE7 |
| Number of Residues | 8 |
| Details | binding site for residue OPZ B 803 |
| Chain | Residue |
| B | ARG253 |
| B | LEU684 |
| B | FE801 |
| B | FV8802 |
| B | HOH926 |
| B | HOH936 |
| B | HOH954 |
| B | HOH1109 |
| site_id | AE8 |
| Number of Residues | 3 |
| Details | binding site for residue C8E B 804 |
| Chain | Residue |
| B | GLY438 |
| B | PRO463 |
| C | C8E805 |
| site_id | AE9 |
| Number of Residues | 5 |
| Details | binding site for residue C8E B 805 |
| Chain | Residue |
| B | ASN604 |
| B | SER631 |
| B | LYS632 |
| B | GLY645 |
| B | C8E815 |
| site_id | AF1 |
| Number of Residues | 1 |
| Details | binding site for residue C8E B 806 |
| Chain | Residue |
| B | TRP362 |
| site_id | AF2 |
| Number of Residues | 2 |
| Details | binding site for residue C8E B 807 |
| Chain | Residue |
| B | GLN510 |
| B | ILE560 |
| site_id | AF3 |
| Number of Residues | 2 |
| Details | binding site for residue C8E B 809 |
| Chain | Residue |
| B | ARG222 |
| B | ASP243 |
| site_id | AF4 |
| Number of Residues | 1 |
| Details | binding site for residue C8E B 810 |
| Chain | Residue |
| B | C8E813 |
| site_id | AF5 |
| Number of Residues | 2 |
| Details | binding site for residue C8E B 811 |
| Chain | Residue |
| B | PHE349 |
| C | LEU514 |
| site_id | AF6 |
| Number of Residues | 2 |
| Details | binding site for residue C8E B 812 |
| Chain | Residue |
| B | TYR302 |
| B | PHE349 |
| site_id | AF7 |
| Number of Residues | 5 |
| Details | binding site for residue C8E B 813 |
| Chain | Residue |
| B | ALA610 |
| B | GLY625 |
| B | ASN626 |
| B | VAL651 |
| B | C8E810 |
| site_id | AF8 |
| Number of Residues | 2 |
| Details | binding site for residue C8E B 814 |
| Chain | Residue |
| B | PHE224 |
| B | TYR242 |
| site_id | AF9 |
| Number of Residues | 2 |
| Details | binding site for residue C8E B 815 |
| Chain | Residue |
| B | LEU608 |
| B | C8E805 |
| site_id | AG1 |
| Number of Residues | 5 |
| Details | binding site for residue EDO B 816 |
| Chain | Residue |
| B | LEU118 |
| B | PHE119 |
| B | SER344 |
| B | ALA345 |
| B | TYR368 |
| site_id | AG2 |
| Number of Residues | 7 |
| Details | binding site for residue EDO B 817 |
| Chain | Residue |
| B | SER534 |
| B | GLU554 |
| B | GLN555 |
| B | LEU585 |
| B | LYS587 |
| B | THR588 |
| B | HOH918 |
| site_id | AG3 |
| Number of Residues | 5 |
| Details | binding site for residue EDO B 818 |
| Chain | Residue |
| B | ASN456 |
| B | LYS458 |
| B | GLY499 |
| B | GLU500 |
| B | ILE501 |
| site_id | AG4 |
| Number of Residues | 5 |
| Details | binding site for residue EDO B 819 |
| Chain | Residue |
| B | VAL261 |
| B | ILE263 |
| B | PRO264 |
| B | SER325 |
| C | ASN396 |
| site_id | AG5 |
| Number of Residues | 5 |
| Details | binding site for residue EDO B 820 |
| Chain | Residue |
| B | GLU79 |
| B | TYR671 |
| B | MET696 |
| B | HOH947 |
| B | HOH990 |
| site_id | AG6 |
| Number of Residues | 4 |
| Details | binding site for residue EDO B 821 |
| Chain | Residue |
| B | LYS508 |
| B | GLN510 |
| B | GLU529 |
| B | THR531 |
| site_id | AG7 |
| Number of Residues | 4 |
| Details | binding site for residue EDO B 822 |
| Chain | Residue |
| B | SER279 |
| B | LYS313 |
| B | ASN315 |
| B | HOH930 |
| site_id | AG8 |
| Number of Residues | 7 |
| Details | binding site for residue EDO B 823 |
| Chain | Residue |
| B | VAL40 |
| B | ALA41 |
| B | PHE54 |
| B | THR61 |
| B | ILE62 |
| B | SER63 |
| B | HOH976 |
| site_id | AG9 |
| Number of Residues | 7 |
| Details | binding site for residue EDO B 824 |
| Chain | Residue |
| B | ASN215 |
| B | THR271 |
| B | LEU272 |
| B | ASP394 |
| B | PRO395 |
| B | PRO397 |
| B | HOH1017 |
| site_id | AH1 |
| Number of Residues | 2 |
| Details | binding site for residue EDO B 825 |
| Chain | Residue |
| B | SER416 |
| B | SER418 |
| site_id | AH2 |
| Number of Residues | 2 |
| Details | binding site for residue EDO B 828 |
| Chain | Residue |
| B | FV8802 |
| B | HOH926 |
| site_id | AH3 |
| Number of Residues | 2 |
| Details | binding site for residue FE C 801 |
| Chain | Residue |
| C | FV8802 |
| C | OPZ803 |
| site_id | AH4 |
| Number of Residues | 15 |
| Details | binding site for residue FV8 C 802 |
| Chain | Residue |
| C | TRP97 |
| C | TYR125 |
| C | ARG253 |
| C | TYR312 |
| C | TYR314 |
| C | GLN335 |
| C | LEU336 |
| C | TYR378 |
| C | ARG379 |
| C | LEU684 |
| C | FE801 |
| C | OPZ803 |
| C | EDO830 |
| C | HOH925 |
| C | HOH964 |
| site_id | AH5 |
| Number of Residues | 8 |
| Details | binding site for residue OPZ C 803 |
| Chain | Residue |
| C | ARG253 |
| C | LEU684 |
| C | FE801 |
| C | FV8802 |
| C | HOH925 |
| C | HOH1061 |
| C | HOH1069 |
| C | HOH1133 |
| site_id | AH6 |
| Number of Residues | 6 |
| Details | binding site for residue C8E C 804 |
| Chain | Residue |
| B | HIS441 |
| C | GLN510 |
| C | LEU512 |
| C | PHE528 |
| C | ILE560 |
| C | HOH906 |
| site_id | AH7 |
| Number of Residues | 6 |
| Details | binding site for residue C8E C 805 |
| Chain | Residue |
| B | THR461 |
| B | C8E804 |
| C | VAL465 |
| C | ALA479 |
| C | ASN480 |
| C | GLN510 |
| site_id | AH8 |
| Number of Residues | 4 |
| Details | binding site for residue C8E C 806 |
| Chain | Residue |
| C | VAL187 |
| C | MET206 |
| C | ARG222 |
| C | ASP243 |
| site_id | AH9 |
| Number of Residues | 6 |
| Details | binding site for residue C8E C 807 |
| Chain | Residue |
| C | TYR302 |
| C | ALA347 |
| C | GLY348 |
| C | PHE349 |
| C | ASN365 |
| C | LEU422 |
| site_id | AI1 |
| Number of Residues | 6 |
| Details | binding site for residue C8E C 808 |
| Chain | Residue |
| A | ALA181 |
| A | PHE183 |
| A | ASP209 |
| C | PHE578 |
| C | TYR580 |
| C | ASN604 |
| site_id | AI2 |
| Number of Residues | 3 |
| Details | binding site for residue C8E C 809 |
| Chain | Residue |
| C | GLY625 |
| C | ASN626 |
| C | ILE627 |
| site_id | AI3 |
| Number of Residues | 2 |
| Details | binding site for residue C8E C 810 |
| Chain | Residue |
| C | ASP339 |
| C | PRO407 |
| site_id | AI4 |
| Number of Residues | 4 |
| Details | binding site for residue C8E C 811 |
| Chain | Residue |
| B | ARG693 |
| B | TYR695 |
| C | ARG693 |
| C | TYR695 |
| site_id | AI5 |
| Number of Residues | 1 |
| Details | binding site for residue C8E C 812 |
| Chain | Residue |
| C | TYR655 |
| site_id | AI6 |
| Number of Residues | 9 |
| Details | binding site for residue EDO C 814 |
| Chain | Residue |
| C | VAL40 |
| C | ALA41 |
| C | THR42 |
| C | SER43 |
| C | PHE54 |
| C | THR61 |
| C | ILE62 |
| C | SER63 |
| C | HOH905 |
| site_id | AI7 |
| Number of Residues | 5 |
| Details | binding site for residue EDO C 815 |
| Chain | Residue |
| C | HIS247 |
| C | SER279 |
| C | GLU281 |
| C | LYS313 |
| C | HOH981 |
| site_id | AI8 |
| Number of Residues | 2 |
| Details | binding site for residue EDO C 816 |
| Chain | Residue |
| C | GLN307 |
| C | THR309 |
| site_id | AI9 |
| Number of Residues | 4 |
| Details | binding site for residue EDO C 817 |
| Chain | Residue |
| C | THR640 |
| C | LEU641 |
| C | SER642 |
| C | HOH1077 |
| site_id | AJ1 |
| Number of Residues | 4 |
| Details | binding site for residue EDO C 818 |
| Chain | Residue |
| C | ASN456 |
| C | LYS458 |
| C | GLY499 |
| C | ILE501 |
| site_id | AJ2 |
| Number of Residues | 7 |
| Details | binding site for residue EDO C 819 |
| Chain | Residue |
| B | LYS265 |
| C | ASN215 |
| C | THR271 |
| C | LEU272 |
| C | ASP394 |
| C | PRO395 |
| C | PRO397 |
| site_id | AJ3 |
| Number of Residues | 4 |
| Details | binding site for residue EDO C 820 |
| Chain | Residue |
| C | SER416 |
| C | THR417 |
| C | SER418 |
| C | THR443 |
| site_id | AJ4 |
| Number of Residues | 7 |
| Details | binding site for residue EDO C 821 |
| Chain | Residue |
| C | GLN39 |
| C | ARG573 |
| C | MET575 |
| C | GLY609 |
| C | GLU611 |
| C | EDO823 |
| C | HOH1058 |
| site_id | AJ5 |
| Number of Residues | 2 |
| Details | binding site for residue EDO C 822 |
| Chain | Residue |
| C | LYS508 |
| C | GLU529 |
| site_id | AJ6 |
| Number of Residues | 9 |
| Details | binding site for residue EDO C 823 |
| Chain | Residue |
| C | ALA36 |
| C | GLY37 |
| C | GLY38 |
| C | GLN39 |
| C | VAL40 |
| C | GLY566 |
| C | LEU574 |
| C | MET575 |
| C | EDO821 |
| site_id | AJ7 |
| Number of Residues | 5 |
| Details | binding site for residue EDO C 824 |
| Chain | Residue |
| C | ASN116 |
| C | ARG290 |
| C | ALA304 |
| C | ASP346 |
| C | HOH1120 |
| site_id | AJ8 |
| Number of Residues | 5 |
| Details | binding site for residue EDO C 825 |
| Chain | Residue |
| C | VAL257 |
| C | ASN636 |
| C | LEU641 |
| C | ASN686 |
| C | HOH1048 |
| site_id | AJ9 |
| Number of Residues | 6 |
| Details | binding site for residue EDO C 826 |
| Chain | Residue |
| C | SER534 |
| C | GLU554 |
| C | GLN555 |
| C | LYS587 |
| C | THR588 |
| C | HOH928 |
| site_id | AK1 |
| Number of Residues | 4 |
| Details | binding site for residue EDO C 827 |
| Chain | Residue |
| C | LEU118 |
| C | PHE119 |
| C | ALA345 |
| C | TYR368 |
| site_id | AK2 |
| Number of Residues | 4 |
| Details | binding site for residue EDO C 828 |
| Chain | Residue |
| C | PRO267 |
| C | LYS268 |
| C | THR271 |
| C | TYR393 |
| site_id | AK3 |
| Number of Residues | 4 |
| Details | binding site for residue EDO C 829 |
| Chain | Residue |
| C | GLU79 |
| C | TYR671 |
| C | MET696 |
| C | HOH1059 |
| site_id | AK4 |
| Number of Residues | 2 |
| Details | binding site for residue EDO C 830 |
| Chain | Residue |
| C | ARG379 |
| C | FV8802 |
Functional Information from PROSITE/UniProt
| site_id | PS01156 |
| Number of Residues | 18 |
| Details | TONB_DEPENDENT_REC_2 TonB-dependent receptor (TBDR) proteins signature 2. NlalGaPRtYmLSVsYdF |
| Chain | Residue | Details |
| A | ASN686-PHE703 |
