3MZB
X-ray structure of NikA in complex with the doubly hydroxylated iron complex, 1-O2
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0005515 | molecular_function | protein binding |
| A | 0015675 | biological_process | nickel cation transport |
| A | 0015833 | biological_process | peptide transport |
| A | 0016020 | cellular_component | membrane |
| A | 0016151 | molecular_function | nickel cation binding |
| A | 0020037 | molecular_function | heme binding |
| A | 0030288 | cellular_component | outer membrane-bounded periplasmic space |
| A | 0042597 | cellular_component | periplasmic space |
| A | 0043190 | cellular_component | ATP-binding cassette (ABC) transporter complex |
| A | 0046914 | molecular_function | transition metal ion binding |
| A | 0050919 | biological_process | negative chemotaxis |
| A | 0051540 | molecular_function | metal cluster binding |
| A | 0055052 | cellular_component | ATP-binding cassette (ABC) transporter complex, substrate-binding subunit-containing |
| A | 0055085 | biological_process | transmembrane transport |
| A | 0098716 | biological_process | nickel cation import across plasma membrane |
| A | 1904680 | molecular_function | peptide transmembrane transporter activity |
| B | 0005515 | molecular_function | protein binding |
| B | 0015675 | biological_process | nickel cation transport |
| B | 0015833 | biological_process | peptide transport |
| B | 0016020 | cellular_component | membrane |
| B | 0016151 | molecular_function | nickel cation binding |
| B | 0020037 | molecular_function | heme binding |
| B | 0030288 | cellular_component | outer membrane-bounded periplasmic space |
| B | 0042597 | cellular_component | periplasmic space |
| B | 0043190 | cellular_component | ATP-binding cassette (ABC) transporter complex |
| B | 0046914 | molecular_function | transition metal ion binding |
| B | 0050919 | biological_process | negative chemotaxis |
| B | 0051540 | molecular_function | metal cluster binding |
| B | 0055052 | cellular_component | ATP-binding cassette (ABC) transporter complex, substrate-binding subunit-containing |
| B | 0055085 | biological_process | transmembrane transport |
| B | 0098716 | biological_process | nickel cation import across plasma membrane |
| B | 1904680 | molecular_function | peptide transmembrane transporter activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE ACT A 502 |
| Chain | Residue |
| A | ASN270 |
| A | ASP291 |
| A | HIS459 |
| A | ALA462 |
| A | TYR464 |
| A | HOH568 |
| A | HOH600 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ACT A 503 |
| Chain | Residue |
| A | ASP69 |
| A | ASP70 |
| A | LYS52 |
| A | ARG68 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE ACT A 504 |
| Chain | Residue |
| A | ASN302 |
| A | GLY304 |
| B | PHE229 |
| B | ALA230 |
| B | SER233 |
| B | THR286 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ACT A 505 |
| Chain | Residue |
| A | ASN261 |
| A | GLU262 |
| A | LEU263 |
| A | GOL516 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE ACT A 506 |
| Chain | Residue |
| A | ASN235 |
| A | ALA237 |
| A | PHE419 |
| A | GLN423 |
| A | HOH676 |
| site_id | AC6 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE ACT A 507 |
| Chain | Residue |
| A | ASN482 |
| A | GLN496 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE ACT A 508 |
| Chain | Residue |
| A | GLN385 |
| A | PHE394 |
| A | HIS395 |
| A | ARG396 |
| A | HOH759 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 A 509 |
| Chain | Residue |
| A | ARG384 |
| A | ARG389 |
| A | HOH811 |
| B | LEU430 |
| B | ARG457 |
| site_id | AC9 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL A 510 |
| Chain | Residue |
| A | ALA158 |
| A | LEU167 |
| A | GLN168 |
| A | HOH599 |
| B | THR211 |
| B | ASP213 |
| site_id | BC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL A 511 |
| Chain | Residue |
| A | LYS148 |
| A | ASN149 |
| A | LYS157 |
| A | HOH932 |
| site_id | BC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL A 512 |
| Chain | Residue |
| A | SER243 |
| A | ILE246 |
| A | MET472 |
| A | TYR485 |
| A | ALA486 |
| A | HOH654 |
| A | HOH743 |
| site_id | BC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL A 513 |
| Chain | Residue |
| A | LEU92 |
| A | VAL108 |
| A | ASP109 |
| A | VAL110 |
| A | ASN281 |
| site_id | BC4 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE GOL A 514 |
| Chain | Residue |
| A | ARG68 |
| A | ASP69 |
| A | PRO78 |
| A | PHE79 |
| A | ASP80 |
| A | LYS115 |
| A | THR116 |
| A | HOH606 |
| A | HOH797 |
| A | HOH860 |
| site_id | BC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL A 515 |
| Chain | Residue |
| A | GLU86 |
| A | ARG89 |
| A | PRO144 |
| A | PHE147 |
| A | HIS150 |
| A | HOH830 |
| site_id | BC6 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL A 516 |
| Chain | Residue |
| A | THR255 |
| A | ASN261 |
| A | ARG266 |
| A | GLY424 |
| A | LEU425 |
| A | ALA426 |
| A | ACT505 |
| A | HOH660 |
| site_id | BC7 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CL A 517 |
| Chain | Residue |
| A | THR23 |
| A | GLN26 |
| site_id | BC8 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CL A 518 |
| Chain | Residue |
| A | ASP331 |
| A | ARG365 |
| site_id | BC9 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CL A 519 |
| Chain | Residue |
| A | ARG97 |
| B | LYS314 |
| site_id | CC1 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE BHR A 520 |
| Chain | Residue |
| A | HOH582 |
| A | HOH618 |
| A | TYR22 |
| A | THR23 |
| A | MET27 |
| A | ARG97 |
| A | TRP100 |
| A | ARG137 |
| A | TRP398 |
| A | THR490 |
| A | FE521 |
| site_id | CC2 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE FE A 521 |
| Chain | Residue |
| A | BHR520 |
| site_id | CC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE DTD A 522 |
| Chain | Residue |
| A | TRP10 |
| A | PRO11 |
| A | ARG205 |
| A | GLY219 |
| A | ASN220 |
| A | GLY222 |
| site_id | CC4 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE CL A 523 |
| Chain | Residue |
| A | TRP54 |
| site_id | CC5 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE GOL A 525 |
| Chain | Residue |
| A | THR211 |
| A | LYS433 |
| A | HOH571 |
| site_id | CC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL A 526 |
| Chain | Residue |
| A | ASP453 |
| A | THR456 |
| A | ARG457 |
| A | ASP460 |
| A | HOH825 |
| site_id | CC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL A 527 |
| Chain | Residue |
| A | PHE229 |
| A | ALA230 |
| A | LEU242 |
| A | THR286 |
| B | ASN302 |
| site_id | CC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE ACT B 502 |
| Chain | Residue |
| B | GLN385 |
| B | HIS395 |
| B | ARG396 |
| B | HOH647 |
| B | HOH851 |
| site_id | CC9 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE ACT B 503 |
| Chain | Residue |
| A | ASN75 |
| A | GLY76 |
| B | THR203 |
| B | PRO225 |
| B | ASP227 |
| B | THR228 |
| site_id | DC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL B 504 |
| Chain | Residue |
| B | SER243 |
| B | ILE246 |
| B | TYR485 |
| B | HOH700 |
| site_id | DC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CL B 505 |
| Chain | Residue |
| B | TRP10 |
| B | MET27 |
| B | PHE28 |
| B | HOH640 |
| site_id | DC3 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE BHR B 506 |
| Chain | Residue |
| B | TYR22 |
| B | THR23 |
| B | MET27 |
| B | TRP100 |
| B | ARG137 |
| B | TRP398 |
| B | THR490 |
| B | FE507 |
| B | HOH521 |
| site_id | DC4 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE FE B 507 |
| Chain | Residue |
| B | BHR506 |
| site_id | DC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE DTD B 508 |
| Chain | Residue |
| B | TRP10 |
| B | PRO11 |
| B | ARG205 |
| B | GLY219 |
| B | ASN220 |
| B | HOH793 |
| site_id | DC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL B 509 |
| Chain | Residue |
| B | SER31 |
| B | ILE492 |
| B | PRO493 |
| B | GLU495 |
| B | HOH572 |
| B | HOH741 |
| site_id | DC7 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE GOL B 510 |
| Chain | Residue |
| B | LEU167 |
| B | GLN168 |
| site_id | DC8 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE ACT B 511 |
| Chain | Residue |
| B | ARG89 |
| B | ASP109 |
| B | VAL110 |
| site_id | DC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ACT B 512 |
| Chain | Residue |
| B | GLU434 |
| B | GLN446 |
| B | LEU450 |
| B | ASP453 |
Functional Information from PROSITE/UniProt
| site_id | PS01040 |
| Number of Residues | 23 |
| Details | SBP_BACTERIAL_5 Bacterial extracellular solute-binding proteins, family 5 signature. AkswthseDgkTWtFtLRDDVKF |
| Chain | Residue | Details |
| A | ALA51-PHE73 |
