4DCX
X-ray structure of NikA in complex with Fe(1R,2R)-N,N'-Bis(2-pyridylmethyl)-N,N'-dicarboxymethyl-1,2-cyclohexanediamine
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 | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 A 601 |
| Chain | Residue |
| A | THR441 |
| A | HIS442 |
| A | ASP443 |
| A | HOH1013 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 A 602 |
| Chain | Residue |
| A | ASN261 |
| A | GLU262 |
| A | LEU263 |
| A | HOH744 |
| A | HOH755 |
| site_id | AC3 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE ACT A 603 |
| Chain | Residue |
| A | GLU187 |
| A | HOH1182 |
| B | TRP54 |
| site_id | AC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE ACT A 604 |
| Chain | Residue |
| A | SER53 |
| A | TRP54 |
| A | HOH791 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE ACT A 605 |
| Chain | Residue |
| A | PRO327 |
| A | ALA328 |
| A | ACT615 |
| A | HOH1211 |
| B | ARG365 |
| site_id | AC6 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE ACT A 606 |
| Chain | Residue |
| A | GLN361 |
| A | SER372 |
| A | LEU373 |
| A | HOH977 |
| B | LYS157 |
| B | HOH864 |
| B | HOH944 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ACT A 607 |
| Chain | Residue |
| A | LEU430 |
| A | LYS433 |
| A | HOH819 |
| A | HOH957 |
| site_id | AC8 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE ACT A 608 |
| Chain | Residue |
| A | LYS316 |
| A | HOH1126 |
| site_id | AC9 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE ACT A 609 |
| Chain | Residue |
| A | ARG457 |
| site_id | BC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE ACT A 610 |
| Chain | Residue |
| A | ASN149 |
| A | LYS157 |
| A | HOH1183 |
| site_id | BC2 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE ACT A 611 |
| Chain | Residue |
| A | HOH1192 |
| site_id | BC3 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE ACT A 612 |
| Chain | Residue |
| A | GLN168 |
| A | LYS193 |
| B | LYS477 |
| site_id | BC4 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE ACT A 613 |
| Chain | Residue |
| A | ARG68 |
| A | HOH1207 |
| site_id | BC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE ACT A 614 |
| Chain | Residue |
| A | SER243 |
| A | GLN244 |
| A | TYR485 |
| A | HOH874 |
| A | HOH893 |
| A | HOH896 |
| A | HOH1019 |
| site_id | BC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE ACT A 615 |
| Chain | Residue |
| A | ALA328 |
| A | ACT605 |
| A | HOH1012 |
| B | ALA362 |
| B | ARG365 |
| B | GLN366 |
| site_id | BC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ACT A 616 |
| Chain | Residue |
| A | ARG386 |
| A | HOH917 |
| B | ASP460 |
| B | HOH758 |
| site_id | BC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ACT A 617 |
| Chain | Residue |
| A | LYS52 |
| A | ARG68 |
| A | ASP69 |
| A | ASP70 |
| site_id | BC9 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE ACT A 618 |
| Chain | Residue |
| A | ASN235 |
| A | ALA237 |
| A | TYR238 |
| A | PHE419 |
| A | GLN423 |
| A | HOH827 |
| A | HOH1133 |
| site_id | CC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE ACT A 619 |
| Chain | Residue |
| A | LYS123 |
| A | HOH866 |
| A | HOH930 |
| A | HOH955 |
| A | HOH1004 |
| A | HOH1140 |
| A | HOH1162 |
| site_id | CC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL A 620 |
| Chain | Residue |
| A | GLY219 |
| A | ASN220 |
| A | GLY222 |
| A | LEU223 |
| A | GOL623 |
| A | HOH1124 |
| A | HOH1125 |
| site_id | CC3 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE GOL A 621 |
| Chain | Residue |
| A | ARG89 |
| A | LEU92 |
| A | ARG95 |
| A | VAL108 |
| A | ASP109 |
| A | VAL110 |
| A | ASN281 |
| A | GOL626 |
| A | HOH914 |
| A | HOH1076 |
| site_id | CC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL A 622 |
| Chain | Residue |
| A | LYS330 |
| A | ASP331 |
| A | ILE332 |
| A | ARG365 |
| site_id | CC5 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL A 623 |
| Chain | Residue |
| A | ASN220 |
| A | GLU247 |
| A | ARG396 |
| A | MET472 |
| A | ALA489 |
| A | GOL620 |
| A | HOH876 |
| A | HOH909 |
| A | HOH1061 |
| site_id | CC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL A 624 |
| Chain | Residue |
| A | LYS316 |
| A | HOH885 |
| A | HOH1017 |
| A | HOH1047 |
| A | HOH1197 |
| site_id | CC7 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE GOL A 625 |
| Chain | Residue |
| A | VAL273 |
| A | ASN274 |
| A | LYS275 |
| A | LYS276 |
| A | SER308 |
| A | GLN309 |
| A | TYR310 |
| A | HOH875 |
| A | HOH988 |
| A | HOH1001 |
| site_id | CC8 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE GOL A 626 |
| Chain | Residue |
| A | ARG89 |
| A | ILE359 |
| A | ALA362 |
| A | ASP363 |
| A | GOL621 |
| A | HOH882 |
| A | HOH901 |
| A | HOH918 |
| A | HOH974 |
| A | HOH1152 |
| site_id | CC9 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL A 627 |
| Chain | Residue |
| A | SER31 |
| A | ARG140 |
| A | GLU491 |
| A | ILE492 |
| A | GLU495 |
| A | HOH714 |
| A | HOH1050 |
| A | HOH1180 |
| A | HOH1210 |
| site_id | DC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL A 628 |
| Chain | Residue |
| A | TYR382 |
| A | GLN385 |
| A | SER415 |
| A | HIS416 |
| A | L2D630 |
| A | HOH1159 |
| site_id | DC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL A 629 |
| Chain | Residue |
| A | GLY44 |
| A | GLN131 |
| A | PRO299 |
| A | TYR300 |
| site_id | DC3 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE L2D A 630 |
| Chain | Residue |
| A | TYR22 |
| A | THR23 |
| A | MET27 |
| A | TRP100 |
| A | ARG137 |
| A | TRP398 |
| A | HIS416 |
| A | THR490 |
| A | GOL628 |
| A | HOH873 |
| A | HOH1159 |
| B | SO4601 |
| site_id | DC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 B 601 |
| Chain | Residue |
| A | THR23 |
| A | PRO24 |
| A | GLN26 |
| A | L2D630 |
| A | HOH769 |
| B | LYS321 |
| site_id | DC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ACT B 602 |
| Chain | Residue |
| B | ARG384 |
| B | ARG389 |
| B | HOH857 |
| B | HOH951 |
| site_id | DC6 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE ACT B 603 |
| Chain | Residue |
| A | LYS354 |
| B | HIS150 |
| B | HOH1045 |
| site_id | DC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE ACT B 604 |
| Chain | Residue |
| A | ARG389 |
| B | ASP427 |
| B | LEU430 |
| B | HOH931 |
| B | HOH996 |
| site_id | DC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ACT B 605 |
| Chain | Residue |
| A | LYS335 |
| B | ARG341 |
| B | HOH945 |
| B | HOH1008 |
| site_id | DC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ACT B 606 |
| Chain | Residue |
| B | LYS330 |
| B | ASP331 |
| B | ILE332 |
| B | GOL618 |
| site_id | EC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE ACT B 607 |
| Chain | Residue |
| B | LYS115 |
| B | ALA256 |
| B | ALA258 |
| site_id | EC2 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE ACT B 608 |
| Chain | Residue |
| B | ASN75 |
| B | LYS433 |
| site_id | EC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE ACT B 609 |
| Chain | Residue |
| B | THR23 |
| B | GLN26 |
| B | L2D620 |
| B | HOH759 |
| B | HOH956 |
| site_id | EC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE ACT B 610 |
| Chain | Residue |
| A | ASN75 |
| A | GLY76 |
| B | THR203 |
| B | PRO225 |
| B | ASP227 |
| B | THR228 |
| B | HOH774 |
| site_id | EC5 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE ACT B 611 |
| Chain | Residue |
| B | LYS72 |
| B | GLY76 |
| B | PRO78 |
| B | GLN423 |
| B | LEU425 |
| B | LYS428 |
| B | PRO429 |
| B | HOH754 |
| B | HOH924 |
| site_id | EC6 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL B 612 |
| Chain | Residue |
| B | VAL273 |
| B | ASN274 |
| B | LYS275 |
| B | LYS276 |
| B | GLN309 |
| B | TYR310 |
| B | HOH812 |
| B | HOH999 |
| site_id | EC7 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL B 613 |
| Chain | Residue |
| B | GLU221 |
| B | SER353 |
| B | MET356 |
| B | PHE394 |
| B | HIS395 |
| B | ARG396 |
| B | HOH902 |
| site_id | EC8 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL B 614 |
| Chain | Residue |
| B | TRP10 |
| B | MET472 |
| B | ALA489 |
| B | THR490 |
| B | GOL619 |
| B | HOH881 |
| B | HOH906 |
| B | HOH977 |
| site_id | EC9 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL B 615 |
| Chain | Residue |
| B | TRP10 |
| B | ASN25 |
| B | GLN26 |
| B | MET27 |
| B | PHE28 |
| B | HOH759 |
| B | HOH859 |
| site_id | FC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL B 616 |
| Chain | Residue |
| A | GLU182 |
| B | ASN235 |
| B | TYR238 |
| B | HOH904 |
| B | HOH941 |
| site_id | FC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL B 617 |
| Chain | Residue |
| B | TRP63 |
| B | ALA125 |
| B | TYR126 |
| B | TYR127 |
| B | HIS442 |
| site_id | FC3 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL B 618 |
| Chain | Residue |
| A | GLU334 |
| A | LYS335 |
| A | ASN336 |
| A | GLY337 |
| A | HOH1138 |
| A | HOH1175 |
| B | ACT606 |
| B | HOH854 |
| site_id | FC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL B 619 |
| Chain | Residue |
| B | PRO11 |
| B | GLY219 |
| B | ASN220 |
| B | GLY222 |
| B | LEU223 |
| B | GOL614 |
| site_id | FC5 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE L2D B 620 |
| Chain | Residue |
| B | TYR22 |
| B | THR23 |
| B | MET27 |
| B | TRP100 |
| B | ARG137 |
| B | TRP398 |
| B | HIS416 |
| B | THR490 |
| B | ACT609 |
| B | HOH759 |
| B | HOH874 |
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 |
