4Q0T
Free form of TvNiR, low dose data set
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0005509 | molecular_function | calcium ion binding |
| A | 0006807 | biological_process | obsolete nitrogen compound metabolic process |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0019645 | biological_process | anaerobic electron transport chain |
| A | 0020037 | molecular_function | heme binding |
| A | 0030288 | cellular_component | outer membrane-bounded periplasmic space |
| A | 0042128 | biological_process | nitrate assimilation |
| A | 0042279 | molecular_function | nitrite reductase (cytochrome, ammonia-forming) activity |
| A | 0042597 | cellular_component | periplasmic space |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0097164 | biological_process | ammonium ion metabolic process |
| B | 0005509 | molecular_function | calcium ion binding |
| B | 0006807 | biological_process | obsolete nitrogen compound metabolic process |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0019645 | biological_process | anaerobic electron transport chain |
| B | 0020037 | molecular_function | heme binding |
| B | 0030288 | cellular_component | outer membrane-bounded periplasmic space |
| B | 0042128 | biological_process | nitrate assimilation |
| B | 0042279 | molecular_function | nitrite reductase (cytochrome, ammonia-forming) activity |
| B | 0042597 | cellular_component | periplasmic space |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0097164 | biological_process | ammonium ion metabolic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 22 |
| Details | BINDING SITE FOR RESIDUE HEC A 601 |
| Chain | Residue |
| A | HIS113 |
| A | ARG242 |
| A | CYS299 |
| A | HIS300 |
| A | TYR303 |
| A | CYS305 |
| A | HIS361 |
| A | ASN486 |
| A | HEC603 |
| A | HOH701 |
| A | HOH715 |
| A | ALA114 |
| A | HOH816 |
| A | HOH817 |
| A | HOH823 |
| A | ASP125 |
| A | HIS126 |
| A | VAL129 |
| A | ARG131 |
| A | CYS184 |
| A | CYS187 |
| A | LYS188 |
| site_id | AC2 |
| Number of Residues | 17 |
| Details | BINDING SITE FOR RESIDUE HEC A 602 |
| Chain | Residue |
| A | CYS66 |
| A | HIS70 |
| A | GLN73 |
| A | LEU225 |
| A | CYS227 |
| A | CYS230 |
| A | HIS231 |
| A | ALA290 |
| A | MET384 |
| A | TYR395 |
| A | THR396 |
| A | HIS398 |
| A | HEC607 |
| A | HOH794 |
| A | HOH891 |
| A | HOH910 |
| A | HOH1321 |
| site_id | AC3 |
| Number of Residues | 22 |
| Details | BINDING SITE FOR RESIDUE HEC A 603 |
| Chain | Residue |
| A | SER84 |
| A | PRO116 |
| A | ARG117 |
| A | HIS119 |
| A | PHE121 |
| A | MET122 |
| A | ASP125 |
| A | CYS187 |
| A | LYS188 |
| A | MET229 |
| A | CYS296 |
| A | CYS299 |
| A | HIS300 |
| A | HIS383 |
| A | MET384 |
| A | GLN400 |
| A | HEC601 |
| A | HEC604 |
| A | HOH705 |
| A | HOH722 |
| A | HOH813 |
| A | HOH957 |
| site_id | AC4 |
| Number of Residues | 22 |
| Details | BINDING SITE FOR RESIDUE HEC A 604 |
| Chain | Residue |
| A | HIS300 |
| A | PHE367 |
| A | HIS372 |
| A | VAL377 |
| A | ALA378 |
| A | CYS379 |
| A | CYS382 |
| A | HIS383 |
| A | THR402 |
| A | ARG404 |
| A | LYS431 |
| A | ASN486 |
| A | PHE490 |
| A | HIS491 |
| A | HEC603 |
| A | HEC605 |
| A | HOH813 |
| A | HOH820 |
| A | HOH824 |
| A | HOH957 |
| A | HOH971 |
| A | HOH1033 |
| site_id | AC5 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE HEC A 605 |
| Chain | Residue |
| A | ASN141 |
| A | TRP142 |
| A | GLN143 |
| A | VAL371 |
| A | HIS372 |
| A | ASN375 |
| A | PRO403 |
| A | ALA410 |
| A | CYS411 |
| A | CYS414 |
| A | HIS415 |
| A | TRP418 |
| A | ILE427 |
| A | HEC604 |
| A | HOH1011 |
| site_id | AC6 |
| Number of Residues | 24 |
| Details | BINDING SITE FOR RESIDUE HEC A 606 |
| Chain | Residue |
| A | PHE15 |
| A | HIS18 |
| A | ILE21 |
| A | HIS25 |
| A | VAL33 |
| A | ASN34 |
| A | CYS35 |
| A | CYS38 |
| A | HIS39 |
| A | THR59 |
| A | LEU194 |
| A | PHE228 |
| A | PRO233 |
| A | HIS234 |
| A | ARG239 |
| A | PHE274 |
| A | ARG276 |
| A | ARG282 |
| A | HEC607 |
| A | HEC608 |
| A | HOH772 |
| A | HOH962 |
| A | HOH1262 |
| A | CYS14 |
| site_id | AC7 |
| Number of Residues | 20 |
| Details | BINDING SITE FOR RESIDUE HEC A 607 |
| Chain | Residue |
| A | LYS29 |
| A | HIS30 |
| A | HIS37 |
| A | ALA65 |
| A | CYS66 |
| A | THR68 |
| A | CYS69 |
| A | HIS70 |
| A | CYS227 |
| A | HIS231 |
| A | ALA236 |
| A | HEC602 |
| A | HEC606 |
| A | HOH969 |
| A | HOH1088 |
| A | HOH1158 |
| A | HOH1167 |
| A | HOH1205 |
| A | HOH1343 |
| B | THR68 |
| site_id | AC8 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE HEC A 608 |
| Chain | Residue |
| A | GLN13 |
| A | CYS14 |
| A | CYS17 |
| A | HIS18 |
| A | HIS39 |
| A | HIS44 |
| A | VAL45 |
| A | SER49 |
| A | SER50 |
| A | ARG52 |
| A | MET53 |
| A | ARG56 |
| A | PRO57 |
| A | THR59 |
| A | LEU194 |
| A | ARG276 |
| A | GLY277 |
| A | HEC606 |
| A | HOH774 |
| A | HOH792 |
| A | HOH1071 |
| A | HOH1183 |
| A | HOH1256 |
| site_id | AC9 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CA A 609 |
| Chain | Residue |
| A | GLU302 |
| A | TYR303 |
| A | LYS358 |
| A | GLN360 |
| A | HOH894 |
| A | HOH895 |
| site_id | BC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MPD A 610 |
| Chain | Residue |
| A | ARG87 |
| A | GLN138 |
| A | PHE139 |
| A | TRP142 |
| A | ARG497 |
| A | HOH1109 |
| site_id | BC2 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE HEC B 601 |
| Chain | Residue |
| B | HIS113 |
| B | ALA114 |
| B | ASP125 |
| B | HIS126 |
| B | VAL129 |
| B | ARG131 |
| B | CYS184 |
| B | CYS187 |
| B | LYS188 |
| B | ARG242 |
| B | CYS299 |
| B | HIS300 |
| B | TYR303 |
| B | CYS305 |
| B | HIS361 |
| B | ASN486 |
| B | HEC603 |
| B | HOH701 |
| B | HOH741 |
| B | HOH842 |
| B | HOH843 |
| B | HOH849 |
| B | HOH1106 |
| site_id | BC3 |
| Number of Residues | 17 |
| Details | BINDING SITE FOR RESIDUE HEC B 602 |
| Chain | Residue |
| B | CYS66 |
| B | HIS70 |
| B | GLN73 |
| B | LEU225 |
| B | CYS227 |
| B | CYS230 |
| B | HIS231 |
| B | MET295 |
| B | MET384 |
| B | TYR395 |
| B | THR396 |
| B | HIS398 |
| B | HEC603 |
| B | HEC607 |
| B | HOH820 |
| B | HOH917 |
| B | HOH936 |
| site_id | BC4 |
| Number of Residues | 21 |
| Details | BINDING SITE FOR RESIDUE HEC B 603 |
| Chain | Residue |
| B | SER84 |
| B | PRO116 |
| B | ARG117 |
| B | HIS119 |
| B | PHE121 |
| B | MET122 |
| B | ASP125 |
| B | CYS187 |
| B | MET229 |
| B | CYS296 |
| B | CYS299 |
| B | HIS300 |
| B | HIS383 |
| B | MET384 |
| B | HEC601 |
| B | HEC602 |
| B | HEC604 |
| B | HOH731 |
| B | HOH748 |
| B | HOH839 |
| B | HOH982 |
| site_id | BC5 |
| Number of Residues | 22 |
| Details | BINDING SITE FOR RESIDUE HEC B 604 |
| Chain | Residue |
| B | HIS300 |
| B | PHE367 |
| B | HIS372 |
| B | VAL377 |
| B | ALA378 |
| B | CYS379 |
| B | CYS382 |
| B | HIS383 |
| B | THR402 |
| B | ARG404 |
| B | LYS431 |
| B | ASN486 |
| B | PHE490 |
| B | HIS491 |
| B | HEC603 |
| B | HEC605 |
| B | HOH839 |
| B | HOH846 |
| B | HOH850 |
| B | HOH982 |
| B | HOH996 |
| B | HOH1058 |
| site_id | BC6 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE HEC B 605 |
| Chain | Residue |
| B | ASN141 |
| B | TRP142 |
| B | GLN143 |
| B | VAL371 |
| B | HIS372 |
| B | PRO403 |
| B | ALA410 |
| B | CYS411 |
| B | CYS414 |
| B | HIS415 |
| B | TRP418 |
| B | ILE427 |
| B | HEC604 |
| B | HOH1036 |
| site_id | BC7 |
| Number of Residues | 21 |
| Details | BINDING SITE FOR RESIDUE HEC B 606 |
| Chain | Residue |
| B | CYS14 |
| B | PHE15 |
| B | HIS18 |
| B | HIS25 |
| B | VAL33 |
| B | ASN34 |
| B | CYS35 |
| B | CYS38 |
| B | HIS39 |
| B | LEU194 |
| B | PHE228 |
| B | PRO233 |
| B | HIS234 |
| B | ARG239 |
| B | PHE274 |
| B | ARG276 |
| B | ARG282 |
| B | HEC607 |
| B | HEC608 |
| B | HOH798 |
| B | HOH987 |
| site_id | BC8 |
| Number of Residues | 20 |
| Details | BINDING SITE FOR RESIDUE HEC B 607 |
| Chain | Residue |
| A | THR68 |
| B | LYS29 |
| B | HIS30 |
| B | HIS37 |
| B | ALA65 |
| B | CYS66 |
| B | THR68 |
| B | CYS69 |
| B | HIS70 |
| B | CYS227 |
| B | HIS231 |
| B | ALA236 |
| B | HEC602 |
| B | HEC606 |
| B | HOH709 |
| B | HOH994 |
| B | HOH1113 |
| B | HOH1183 |
| B | HOH1192 |
| B | HOH1230 |
| site_id | BC9 |
| Number of Residues | 27 |
| Details | BINDING SITE FOR RESIDUE HEC B 608 |
| Chain | Residue |
| B | GLN13 |
| B | CYS14 |
| B | CYS17 |
| B | HIS18 |
| B | HIS39 |
| B | HIS44 |
| B | VAL45 |
| B | ALA48 |
| B | SER49 |
| B | ARG51 |
| B | ARG51 |
| B | ARG52 |
| B | MET53 |
| B | ARG56 |
| B | PRO57 |
| B | THR59 |
| B | LEU194 |
| B | GLN275 |
| B | ARG276 |
| B | HEC606 |
| B | HOH800 |
| B | HOH818 |
| B | HOH987 |
| B | HOH1096 |
| B | HOH1285 |
| B | HOH1286 |
| B | HOH1352 |
| site_id | CC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CA B 609 |
| Chain | Residue |
| B | GLU302 |
| B | TYR303 |
| B | LYS358 |
| B | GLN360 |
| B | HOH920 |
| B | HOH921 |
| site_id | CC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MPD B 610 |
| Chain | Residue |
| B | ARG87 |
| B | GLN138 |
| B | PHE139 |
| B | TRP142 |
| B | ARG497 |
| B | HOH1134 |
| site_id | CC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL B 611 |
| Chain | Residue |
| B | TYR198 |
| B | LYS271 |
| B | THR273 |
| B | PHE281 |
| B | ARG282 |
| B | HOH1207 |
| B | HOH1250 |
| site_id | CC4 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE CIT B 612 |
| Chain | Residue |
| B | SER49 |
| B | SER49 |
| B | SER50 |
| B | SER50 |
| B | SER50 |
| B | ARG51 |
| B | ARG51 |
| B | HOH1348 |
| B | HOH1348 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 32 |
| Details | BINDING: covalent => ECO:0000269|PubMed:19393666, ECO:0000269|PubMed:20944237, ECO:0000269|PubMed:22281743, ECO:0007744|PDB:4L38, ECO:0007744|PDB:4L3X, ECO:0007744|PDB:4L3Y |
| Chain | Residue | Details |
| A | PHE15 | |
| A | HIS231 | |
| A | ALA297 | |
| A | HIS300 | |
| A | ALA380 | |
| A | HIS383 | |
| A | LEU412 | |
| A | HIS415 | |
| B | PHE15 | |
| B | HIS18 | |
| B | VAL36 | |
| A | HIS18 | |
| B | HIS39 | |
| B | ALA67 | |
| B | HIS70 | |
| B | LEU185 | |
| B | LYS188 | |
| B | PHE228 | |
| B | HIS231 | |
| B | ALA297 | |
| B | HIS300 | |
| B | ALA380 | |
| A | VAL36 | |
| B | HIS383 | |
| B | LEU412 | |
| B | HIS415 | |
| A | HIS39 | |
| A | ALA67 | |
| A | HIS70 | |
| A | LEU185 | |
| A | LYS188 | |
| A | PHE228 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 28 |
| Details | BINDING: axial binding residue => ECO:0000269|PubMed:19393666, ECO:0000269|PubMed:20944237, ECO:0000269|PubMed:22281743, ECO:0007744|PDB:4L38, ECO:0007744|PDB:4L3X, ECO:0007744|PDB:4L3Y |
| Chain | Residue | Details |
| A | THR19 | |
| A | GLU373 | |
| A | MET384 | |
| A | SER399 | |
| A | ALA416 | |
| A | ASN492 | |
| B | THR19 | |
| B | ALA31 | |
| B | ASP40 | |
| B | VAL45 | |
| B | THR71 | |
| A | ALA31 | |
| B | ALA120 | |
| B | THR189 | |
| B | SER235 | |
| B | VAL301 | |
| B | GLU373 | |
| B | MET384 | |
| B | SER399 | |
| B | ALA416 | |
| B | ASN492 | |
| A | ASP40 | |
| A | VAL45 | |
| A | THR71 | |
| A | ALA120 | |
| A | THR189 | |
| A | SER235 | |
| A | VAL301 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | BINDING: axial binding residue => ECO:0000269|PubMed:19393666, ECO:0000269|PubMed:20944237, ECO:0000269|PubMed:22281743 |
| Chain | Residue | Details |
| A | ASP232 | |
| B | ASP232 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 8 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:19393666, ECO:0000269|PubMed:20944237, ECO:0000269|PubMed:22281743, ECO:0007744|PDB:4L38, ECO:0007744|PDB:4L3X, ECO:0007744|PDB:4L3Y |
| Chain | Residue | Details |
| A | TYR303 | |
| A | ASN304 | |
| A | LEU359 | |
| A | HIS361 | |
| B | TYR303 | |
| B | ASN304 | |
| B | LEU359 | |
| B | HIS361 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 4 |
| Details | CROSSLNK: 3'-(S-cysteinyl)-tyrosine (Tyr-Cys) => ECO:0000269|PubMed:19393666, ECO:0000269|PubMed:22281743 |
| Chain | Residue | Details |
| A | ASN304 | |
| A | ASN306 | |
| B | ASN304 | |
| B | ASN306 |
