4DCY
X-ray structure of NikA in complex with Fe(1S,2S)-N,N-kappa-Bis(2-pyridylmethyl)-N-carboxymethyl-N-kappa-methyl-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 | 6 |
| Details | BINDING SITE FOR RESIDUE ACT A 601 |
| Chain | Residue |
| A | LYS52 |
| A | ARG68 |
| A | ASP69 |
| A | ASP70 |
| A | GOL628 |
| A | HOH1158 |
| site_id | AC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE ACT A 602 |
| Chain | Residue |
| A | LEU263 |
| A | HOH752 |
| A | HOH761 |
| site_id | AC3 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE ACT A 603 |
| Chain | Residue |
| A | SER243 |
| A | GLN244 |
| A | PRO245 |
| A | GLN288 |
| A | HOH860 |
| A | HOH948 |
| A | HOH1075 |
| A | HOH1086 |
| B | GLN288 |
| B | SER297 |
| B | HOH857 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ACT A 604 |
| Chain | Residue |
| A | LYS316 |
| A | HOH938 |
| B | LYS354 |
| B | HOH837 |
| site_id | AC5 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE ACT A 605 |
| Chain | Residue |
| A | TYR300 |
| A | HOH1213 |
| B | ASN482 |
| site_id | AC6 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE ACT A 606 |
| Chain | Residue |
| A | PRO245 |
| A | GLN288 |
| A | ALA295 |
| A | SER297 |
| A | TYR469 |
| A | HOH759 |
| A | HOH1130 |
| B | GLN244 |
| B | HOH953 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE ACT A 607 |
| Chain | Residue |
| A | GLN26 |
| A | MET27 |
| A | L2M629 |
| A | HOH776 |
| A | HOH787 |
| A | HOH1187 |
| site_id | AC8 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE ACT A 608 |
| Chain | Residue |
| A | LYS335 |
| A | ASN336 |
| A | GLY337 |
| A | HOH1181 |
| B | GOL607 |
| B | HOH911 |
| B | HOH1096 |
| site_id | AC9 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE ACT A 609 |
| Chain | Residue |
| A | GLU210 |
| A | THR228 |
| A | ARG231 |
| A | HOH869 |
| A | HOH1190 |
| A | HOH1192 |
| A | HOH1217 |
| site_id | BC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ACT A 610 |
| Chain | Residue |
| A | LYS330 |
| A | ASP331 |
| A | ARG365 |
| B | LYS148 |
| site_id | BC2 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE ACT A 611 |
| Chain | Residue |
| A | GLN361 |
| A | LEU373 |
| A | HOH1004 |
| A | HOH1099 |
| A | HOH1117 |
| A | HOH1160 |
| A | HOH1196 |
| B | HOH821 |
| site_id | BC3 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE ACT A 612 |
| Chain | Residue |
| A | PRO429 |
| A | LEU430 |
| A | LYS433 |
| site_id | BC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE ACT A 613 |
| Chain | Residue |
| A | SER53 |
| A | TRP54 |
| A | HOH1106 |
| A | HOH1153 |
| A | HOH1201 |
| A | HOH1227 |
| site_id | BC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE ACT A 614 |
| Chain | Residue |
| A | ASN235 |
| A | ALA237 |
| A | TYR238 |
| A | PHE419 |
| A | GLN423 |
| A | HOH835 |
| A | HOH1146 |
| site_id | BC6 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE ACT A 615 |
| Chain | Residue |
| A | ASP453 |
| A | HOH898 |
| A | HOH1098 |
| site_id | BC7 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE GOL A 616 |
| Chain | Residue |
| A | LYS148 |
| A | ASN149 |
| A | LYS157 |
| site_id | BC8 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL A 617 |
| Chain | Residue |
| A | ARG89 |
| A | LEU92 |
| A | ARG95 |
| A | VAL108 |
| A | ASP109 |
| A | VAL110 |
| A | ASN281 |
| A | HOH971 |
| site_id | BC9 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE GOL A 618 |
| Chain | Residue |
| A | MET32 |
| A | LYS39 |
| A | GLU491 |
| A | ILE492 |
| A | GLU495 |
| A | HOH716 |
| A | HOH857 |
| A | HOH970 |
| A | HOH1177 |
| A | SER31 |
| site_id | CC1 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE GOL A 619 |
| Chain | Residue |
| A | ASN220 |
| A | GLU221 |
| A | GLY222 |
| A | ASP350 |
| A | LEU352 |
| A | SER353 |
| A | HOH977 |
| A | HOH981 |
| A | HOH1178 |
| A | HOH1205 |
| site_id | CC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL A 620 |
| Chain | Residue |
| A | PRO11 |
| A | GLY219 |
| A | ASN220 |
| A | GLY222 |
| A | LEU223 |
| A | GOL626 |
| A | HOH1205 |
| site_id | CC3 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE GOL A 621 |
| Chain | Residue |
| A | ASP427 |
| A | ARG457 |
| site_id | CC4 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL A 622 |
| Chain | Residue |
| A | ASN75 |
| A | GLY76 |
| A | HOH1222 |
| B | THR203 |
| B | PRO225 |
| B | ASP227 |
| B | ACT603 |
| B | HOH1063 |
| site_id | CC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL A 623 |
| Chain | Residue |
| A | ALA99 |
| A | ARG231 |
| A | GLN234 |
| A | TYR284 |
| A | VAL413 |
| A | HOH1087 |
| A | HOH1105 |
| site_id | CC6 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL A 624 |
| Chain | Residue |
| A | ASP109 |
| A | THR121 |
| A | LYS354 |
| A | GLU358 |
| A | GOL627 |
| A | HOH1083 |
| A | HOH1136 |
| A | HOH1194 |
| site_id | CC7 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL A 625 |
| Chain | Residue |
| A | TYR22 |
| A | THR23 |
| A | ARG97 |
| A | HOH1214 |
| B | TYR271 |
| B | LYS306 |
| B | LYS314 |
| site_id | CC8 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL A 626 |
| Chain | Residue |
| A | TRP10 |
| A | MET472 |
| A | ALA489 |
| A | THR490 |
| A | GOL620 |
| A | HOH922 |
| A | HOH924 |
| A | HOH1040 |
| site_id | CC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL A 627 |
| Chain | Residue |
| A | LYS354 |
| A | GOL624 |
| A | HOH1083 |
| A | HOH1230 |
| B | HIS150 |
| site_id | DC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE GOL A 628 |
| Chain | Residue |
| A | ARG68 |
| A | ACT601 |
| A | HOH1231 |
| site_id | DC2 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE L2M A 629 |
| Chain | Residue |
| A | TYR22 |
| A | THR23 |
| A | MET27 |
| A | TRP100 |
| A | ARG137 |
| A | TRP398 |
| A | TYR402 |
| A | HIS416 |
| A | ACT607 |
| A | HOH776 |
| A | HOH919 |
| A | HOH1195 |
| site_id | DC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 A 632 |
| Chain | Residue |
| A | THR441 |
| A | HIS442 |
| A | ASP443 |
| A | HOH1188 |
| site_id | DC4 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE ACT B 601 |
| Chain | Residue |
| A | GLU187 |
| B | TRP54 |
| site_id | DC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ACT B 602 |
| Chain | Residue |
| B | LYS52 |
| B | ARG68 |
| B | ASP69 |
| B | ASP70 |
| site_id | DC6 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE ACT B 603 |
| Chain | Residue |
| A | GOL622 |
| B | PRO225 |
| B | LEU352 |
| B | HOH820 |
| B | HOH968 |
| B | HOH1063 |
| B | HOH1131 |
| site_id | DC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ACT B 604 |
| Chain | Residue |
| A | LYS335 |
| A | HOH1209 |
| B | ARG341 |
| B | HOH1092 |
| site_id | DC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE ACT B 605 |
| Chain | Residue |
| A | ARG386 |
| B | THR456 |
| B | ASP460 |
| B | HOH939 |
| B | HOH1002 |
| B | HOH1013 |
| site_id | DC9 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL B 606 |
| Chain | Residue |
| B | TRP10 |
| B | PRO11 |
| B | ARG205 |
| B | GLY219 |
| B | ASN220 |
| B | HOH969 |
| site_id | EC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL B 607 |
| Chain | Residue |
| A | ASN336 |
| A | ACT608 |
| B | LYS330 |
| B | ASP331 |
| B | ILE332 |
| B | HOH1030 |
| B | HOH1096 |
| site_id | EC2 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL B 608 |
| Chain | Residue |
| B | ASN274 |
| B | LYS275 |
| B | LYS276 |
| B | VAL289 |
| B | SER308 |
| B | GLN309 |
| B | TYR310 |
| B | HOH843 |
| site_id | EC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL B 609 |
| Chain | Residue |
| A | ARG384 |
| A | ARG389 |
| B | ASP427 |
| B | LEU430 |
| B | ARG457 |
| B | HOH1103 |
| site_id | EC4 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL B 610 |
| Chain | Residue |
| B | GLU221 |
| B | VAL249 |
| B | SER353 |
| B | MET356 |
| B | PHE394 |
| B | HIS395 |
| B | ARG396 |
| B | HOH1020 |
| site_id | EC5 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE L2M B 611 |
| Chain | Residue |
| B | TYR22 |
| B | MET27 |
| B | TRP100 |
| B | ARG137 |
| B | TRP398 |
| B | SER410 |
| B | HIS416 |
| B | THR490 |
| B | HOH712 |
| B | HOH781 |
| B | HOH1004 |
| site_id | EC6 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 B 612 |
| Chain | Residue |
| A | LYS321 |
| B | ARG389 |
| B | HOH1060 |
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 |
