4I9D
X-ray structure of NikA in complex with Fe-N,N'-Bis(2-pyridylmethyl)-N-carboxymethyl-N'-methyl
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 | 5 |
| Details | BINDING SITE FOR RESIDUE ACT A 601 |
| Chain | Residue |
| A | LYS52 |
| A | ARG68 |
| A | ASP69 |
| A | ASP70 |
| A | HOH1283 |
| site_id | AC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE ACT A 602 |
| Chain | Residue |
| A | ASN261 |
| A | LEU263 |
| A | HOH757 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL A 603 |
| Chain | Residue |
| A | ASN220 |
| A | GLY222 |
| A | GOL610 |
| A | HOH881 |
| A | HOH1348 |
| A | GLY219 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 A 604 |
| Chain | Residue |
| A | THR441 |
| A | HIS442 |
| A | ASP443 |
| A | HOH1171 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 A 605 |
| Chain | Residue |
| A | PHE147 |
| A | LYS148 |
| A | ASN149 |
| A | LYS157 |
| A | HOH884 |
| site_id | AC6 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE GOL A 606 |
| Chain | Residue |
| A | ARG89 |
| A | LEU92 |
| A | ARG95 |
| A | ILE107 |
| A | VAL108 |
| A | ASP109 |
| A | VAL110 |
| A | ASN281 |
| A | HOH943 |
| A | HOH946 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ACT A 607 |
| Chain | Residue |
| A | SER53 |
| A | TRP54 |
| A | HOH797 |
| A | HOH1292 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL A 608 |
| Chain | Residue |
| A | LYS330 |
| A | ASP331 |
| A | ARG365 |
| B | LYS148 |
| site_id | AC9 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE GOL A 609 |
| Chain | Residue |
| A | ARG180 |
| A | LYS188 |
| A | LYS192 |
| site_id | BC1 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE GOL A 610 |
| Chain | Residue |
| A | ASN220 |
| A | GLU247 |
| A | ARG396 |
| A | MET472 |
| A | ALA489 |
| A | THR490 |
| A | GOL603 |
| A | L4D631 |
| A | HOH906 |
| A | HOH955 |
| A | HOH1291 |
| site_id | BC2 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE ACT A 611 |
| Chain | Residue |
| A | LYS123 |
| A | THR203 |
| A | GOL633 |
| A | HOH895 |
| A | HOH981 |
| A | HOH986 |
| A | HOH1067 |
| A | HOH1102 |
| A | HOH1219 |
| site_id | BC3 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL A 612 |
| Chain | Residue |
| A | GLU221 |
| A | GLY222 |
| A | ASP350 |
| A | SER353 |
| A | ARG396 |
| A | HOH952 |
| A | HOH976 |
| A | HOH1001 |
| A | HOH1348 |
| site_id | BC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ACT A 613 |
| Chain | Residue |
| A | PRO327 |
| A | ALA328 |
| B | ARG365 |
| B | HOH1189 |
| site_id | BC5 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE GOL A 614 |
| Chain | Residue |
| A | VAL273 |
| A | ASN274 |
| A | LYS275 |
| A | LYS276 |
| A | ASP291 |
| A | SER308 |
| A | GLN309 |
| A | TYR310 |
| A | HOH904 |
| A | HOH1089 |
| A | HOH1150 |
| A | HOH1192 |
| A | HOH1253 |
| A | HOH1282 |
| site_id | BC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE ACT A 615 |
| Chain | Residue |
| A | GLN361 |
| A | SER372 |
| A | LEU373 |
| A | HOH1026 |
| A | HOH1059 |
| site_id | BC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE ACT A 616 |
| Chain | Residue |
| A | HOH1024 |
| A | HOH1333 |
| A | LEU430 |
| A | LYS433 |
| A | HOH828 |
| site_id | BC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ACT A 617 |
| Chain | Residue |
| A | GLN313 |
| A | LYS316 |
| A | HOH1187 |
| A | HOH1298 |
| site_id | BC9 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE ACT A 618 |
| Chain | Residue |
| A | ARG457 |
| A | HOH1204 |
| site_id | CC1 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE GOL A 619 |
| Chain | Residue |
| A | PRO296 |
| A | ASN302 |
| A | LEU303 |
| A | GLY304 |
| A | HOH709 |
| A | HOH991 |
| A | HOH1174 |
| A | HOH1316 |
| B | PHE229 |
| B | SER233 |
| B | LEU242 |
| site_id | CC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE ACT A 620 |
| Chain | Residue |
| A | ASP453 |
| A | HOH856 |
| A | HOH1160 |
| site_id | CC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE ACT A 621 |
| Chain | Residue |
| A | GLN174 |
| A | ASN197 |
| A | VAL198 |
| A | HOH1025 |
| A | HOH1297 |
| site_id | CC4 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE GOL A 622 |
| Chain | Residue |
| A | SER31 |
| A | MET32 |
| A | LYS39 |
| A | ALA486 |
| A | GLU491 |
| A | ILE492 |
| A | PRO493 |
| A | GLU495 |
| A | HOH715 |
| A | HOH851 |
| A | HOH1279 |
| site_id | CC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE ACT A 623 |
| Chain | Residue |
| A | TYR271 |
| A | LYS306 |
| A | LYS314 |
| A | HOH753 |
| A | HOH1207 |
| site_id | CC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE ACT A 624 |
| Chain | Residue |
| A | THR23 |
| A | GLN26 |
| A | L4D631 |
| A | HOH772 |
| A | HOH1226 |
| B | HOH1110 |
| site_id | CC7 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE ACT A 625 |
| Chain | Residue |
| A | LYS316 |
| A | HOH919 |
| B | LYS354 |
| site_id | CC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL A 626 |
| Chain | Residue |
| A | GLU86 |
| A | ARG89 |
| A | PRO144 |
| A | PHE147 |
| A | HIS150 |
| A | HOH1017 |
| site_id | CC9 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE ACT A 627 |
| Chain | Residue |
| A | LEU167 |
| A | GLN168 |
| A | HOH975 |
| A | HOH1311 |
| A | HOH1335 |
| B | VAL207 |
| B | THR211 |
| B | ASP213 |
| site_id | DC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE ACT A 628 |
| Chain | Residue |
| A | LYS498 |
| A | VAL500 |
| A | HOH1314 |
| B | HIS56 |
| B | TRP63 |
| B | GOL611 |
| site_id | DC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ACT A 629 |
| Chain | Residue |
| A | GLU479 |
| A | PRO499 |
| A | VAL500 |
| A | HOH1359 |
| site_id | DC3 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE ACT A 630 |
| Chain | Residue |
| A | ARG68 |
| A | HOH1030 |
| site_id | DC4 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE L4D A 631 |
| Chain | Residue |
| A | TYR22 |
| A | THR23 |
| A | MET27 |
| A | TRP100 |
| A | ARG137 |
| A | TRP398 |
| A | THR490 |
| A | GOL610 |
| A | ACT624 |
| A | HOH902 |
| A | HOH1226 |
| A | HOH1362 |
| A | HOH1363 |
| A | HOH1364 |
| A | HOH1365 |
| site_id | DC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL A 632 |
| Chain | Residue |
| A | ASN235 |
| A | ALA237 |
| A | PHE419 |
| A | GLN423 |
| A | PRO429 |
| A | HOH835 |
| A | HOH1289 |
| site_id | DC6 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL A 633 |
| Chain | Residue |
| A | ASN105 |
| A | ASP227 |
| A | THR228 |
| A | ARG231 |
| A | ACT611 |
| A | HOH1022 |
| A | HOH1087 |
| A | HOH1208 |
| A | HOH1296 |
| site_id | DC7 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE GOL A 634 |
| Chain | Residue |
| A | ARG386 |
| A | HOH1273 |
| A | HOH1304 |
| A | HOH1339 |
| B | GLY304 |
| B | LEU305 |
| B | LYS306 |
| B | THR456 |
| B | HIS459 |
| B | ASP460 |
| B | HOH768 |
| B | HOH1199 |
| site_id | DC8 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL B 601 |
| Chain | Residue |
| B | TRP10 |
| B | PRO11 |
| B | GLY219 |
| B | ASN220 |
| B | GLY222 |
| B | LEU223 |
| B | GOL606 |
| B | HOH1098 |
| site_id | DC9 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE GOL B 602 |
| Chain | Residue |
| B | VAL273 |
| B | ASN274 |
| B | LYS275 |
| B | LYS276 |
| B | SER308 |
| B | GLN309 |
| B | TYR310 |
| B | HOH844 |
| B | HOH904 |
| B | HOH1011 |
| B | HOH1160 |
| site_id | EC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE ACT B 603 |
| Chain | Residue |
| B | ARG389 |
| B | GOL616 |
| B | HOH1207 |
| site_id | EC2 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE GOL B 604 |
| Chain | Residue |
| B | GLU221 |
| B | VAL249 |
| B | SER353 |
| B | MET356 |
| B | PHE394 |
| B | HIS395 |
| B | ARG396 |
| B | HOH935 |
| B | HOH1007 |
| B | HOH1211 |
| site_id | EC3 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE ACT B 605 |
| Chain | Residue |
| A | LYS354 |
| B | HIS150 |
| site_id | EC4 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL B 606 |
| Chain | Residue |
| B | ASN220 |
| B | GLU247 |
| B | ARG396 |
| B | ALA489 |
| B | THR490 |
| B | GOL601 |
| B | HOH965 |
| B | HOH979 |
| B | HOH1019 |
| site_id | EC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE ACT B 607 |
| Chain | Residue |
| A | ARG384 |
| A | ARG389 |
| B | ASP427 |
| B | ARG457 |
| B | HOH954 |
| site_id | EC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ACT B 608 |
| Chain | Residue |
| A | LYS335 |
| B | ARG341 |
| B | HOH1109 |
| B | HOH1134 |
| site_id | EC7 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE ACT B 609 |
| Chain | Residue |
| A | ARG97 |
| A | HOH1014 |
| A | HOH1276 |
| B | LYS306 |
| B | LYS314 |
| B | HOH991 |
| B | HOH1035 |
| B | HOH1173 |
| site_id | EC8 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE GOL B 610 |
| Chain | Residue |
| B | ASP4 |
| B | GLU5 |
| site_id | EC9 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL B 611 |
| Chain | Residue |
| A | VAL500 |
| A | ACT628 |
| B | TRP63 |
| B | ALA125 |
| B | TYR126 |
| B | TYR127 |
| B | HOH880 |
| site_id | FC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ACT B 612 |
| Chain | Residue |
| B | THR23 |
| B | PRO24 |
| B | GLN26 |
| B | HOH1051 |
| site_id | FC2 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE L4D B 613 |
| Chain | Residue |
| B | TYR22 |
| B | THR23 |
| B | MET27 |
| B | TRP100 |
| B | ARG137 |
| B | TRP398 |
| B | THR490 |
| B | ACT615 |
| B | HOH950 |
| B | HOH1183 |
| B | HOH1230 |
| B | HOH1231 |
| B | HOH1232 |
| site_id | FC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL B 614 |
| Chain | Residue |
| A | GLU187 |
| B | LYS52 |
| B | SER53 |
| B | TRP54 |
| B | HOH1107 |
| site_id | FC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE ACT B 615 |
| Chain | Residue |
| B | GLN385 |
| B | HIS416 |
| B | ALA417 |
| B | L4D613 |
| B | HOH1135 |
| site_id | FC5 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE GOL B 616 |
| Chain | Residue |
| B | LYS257 |
| B | GLU343 |
| B | SER345 |
| B | ARG384 |
| B | ARG389 |
| B | PHE390 |
| B | GLY391 |
| B | ACT603 |
| B | HOH977 |
| B | HOH1208 |
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 |
