6XTF
Crystal structure a Thioredoxin Reductase from Gloeobacter violaceus bound to its electron donor
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0004791 | molecular_function | thioredoxin-disulfide reductase (NADPH) activity |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0045454 | biological_process | cell redox homeostasis |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0098869 | biological_process | cellular oxidant detoxification |
| B | 0000166 | molecular_function | nucleotide binding |
| B | 0004791 | molecular_function | thioredoxin-disulfide reductase (NADPH) activity |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0045454 | biological_process | cell redox homeostasis |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0098869 | biological_process | cellular oxidant detoxification |
| C | 0009055 | molecular_function | electron transfer activity |
| C | 0022900 | biological_process | electron transport chain |
| C | 0046872 | molecular_function | metal ion binding |
| C | 0051536 | molecular_function | iron-sulfur cluster binding |
| C | 0051537 | molecular_function | 2 iron, 2 sulfur cluster binding |
| D | 0009055 | molecular_function | electron transfer activity |
| D | 0022900 | biological_process | electron transport chain |
| D | 0046872 | molecular_function | metal ion binding |
| D | 0051536 | molecular_function | iron-sulfur cluster binding |
| D | 0051537 | molecular_function | 2 iron, 2 sulfur cluster binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 40 |
| Details | binding site for residue FAD A 401 |
| Chain | Residue |
| A | GLY12 |
| A | GLY41 |
| A | ALA42 |
| A | LEU43 |
| A | THR46 |
| A | LYS48 |
| A | ILE49 |
| A | ASN51 |
| A | ALA82 |
| A | VAL84 |
| A | ALA111 |
| A | GLY13 |
| A | THR112 |
| A | GLY113 |
| A | MET115 |
| A | GLY277 |
| A | ASP278 |
| A | LYS285 |
| A | GLN286 |
| A | ALA287 |
| A | ALA290 |
| A | HOH502 |
| A | GLY14 |
| A | HOH518 |
| A | HOH524 |
| A | HOH525 |
| A | HOH530 |
| A | HOH551 |
| A | HOH554 |
| B | TYR23 |
| B | ASP314 |
| B | TRP315 |
| B | ALA316 |
| A | PRO15 |
| C | SER39 |
| A | ALA16 |
| A | LEU34 |
| A | ASP35 |
| A | LYS36 |
| A | ASN37 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | binding site for residue ACT A 402 |
| Chain | Residue |
| A | GLU66 |
| A | ASP70 |
| A | HOH532 |
| B | LYS166 |
| site_id | AC3 |
| Number of Residues | 2 |
| Details | binding site for residue PEG A 403 |
| Chain | Residue |
| A | LYS95 |
| A | TYR97 |
| site_id | AC4 |
| Number of Residues | 1 |
| Details | binding site for residue ACT A 404 |
| Chain | Residue |
| A | ASP7 |
| site_id | AC5 |
| Number of Residues | 3 |
| Details | binding site for residue ACT A 405 |
| Chain | Residue |
| A | THR214 |
| A | GLU228 |
| A | LEU230 |
| site_id | AC6 |
| Number of Residues | 7 |
| Details | binding site for residue PG4 A 406 |
| Chain | Residue |
| A | LEU153 |
| A | ARG202 |
| A | LEU203 |
| A | LEU238 |
| A | HOH519 |
| C | ARG41 |
| C | ASP61 |
| site_id | AC7 |
| Number of Residues | 1 |
| Details | binding site for residue PEG A 407 |
| Chain | Residue |
| A | ARG106 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | binding site for residue PGE A 408 |
| Chain | Residue |
| A | HOH567 |
| D | PHE64 |
| D | GLN69 |
| D | LEU96 |
| site_id | AC9 |
| Number of Residues | 1 |
| Details | binding site for residue PGE A 409 |
| Chain | Residue |
| A | GLU253 |
| site_id | AD1 |
| Number of Residues | 4 |
| Details | binding site for residue ACT A 410 |
| Chain | Residue |
| A | PRO243 |
| A | THR245 |
| A | ASP246 |
| A | ACT411 |
| site_id | AD2 |
| Number of Residues | 4 |
| Details | binding site for residue ACT A 411 |
| Chain | Residue |
| A | ARG117 |
| A | ASP246 |
| A | ACT410 |
| A | HOH591 |
| site_id | AD3 |
| Number of Residues | 3 |
| Details | binding site for residue ACT A 413 |
| Chain | Residue |
| A | GLN3 |
| A | ASP5 |
| A | LYS30 |
| site_id | AD4 |
| Number of Residues | 6 |
| Details | binding site for residue PEG A 414 |
| Chain | Residue |
| A | ASP70 |
| A | GLU74 |
| A | HOH528 |
| B | GLU159 |
| B | GLN162 |
| B | GLU188 |
| site_id | AD5 |
| Number of Residues | 42 |
| Details | binding site for residue FAD B 401 |
| Chain | Residue |
| B | ALA82 |
| B | VAL84 |
| B | ALA111 |
| B | THR112 |
| B | GLY113 |
| B | MET115 |
| B | ILE244 |
| B | GLY277 |
| B | ASP278 |
| B | LYS285 |
| B | GLN286 |
| B | ALA287 |
| B | ALA290 |
| B | HOH503 |
| B | HOH505 |
| B | HOH528 |
| B | HOH532 |
| B | HOH545 |
| B | HOH547 |
| B | HOH549 |
| B | HOH555 |
| D | SER39 |
| D | CYS40 |
| A | TYR23 |
| A | ASP314 |
| A | TRP315 |
| A | ALA316 |
| B | GLY12 |
| B | GLY13 |
| B | GLY14 |
| B | PRO15 |
| B | ALA16 |
| B | LEU34 |
| B | ASP35 |
| B | LYS36 |
| B | ASN37 |
| B | GLY41 |
| B | ALA42 |
| B | LEU43 |
| B | THR46 |
| B | ILE49 |
| B | ASN51 |
| site_id | AD6 |
| Number of Residues | 2 |
| Details | binding site for residue PG4 B 402 |
| Chain | Residue |
| B | HIS63 |
| B | GLU66 |
| site_id | AD7 |
| Number of Residues | 2 |
| Details | binding site for residue PEG B 403 |
| Chain | Residue |
| B | ARG106 |
| B | PHE304 |
| site_id | AD8 |
| Number of Residues | 4 |
| Details | binding site for residue ACT B 404 |
| Chain | Residue |
| B | VAL218 |
| B | HIS220 |
| B | ASP225 |
| B | GLN227 |
| site_id | AD9 |
| Number of Residues | 5 |
| Details | binding site for residue PG4 B 405 |
| Chain | Residue |
| A | HOH508 |
| B | VAL262 |
| B | ASP263 |
| B | MET266 |
| B | ARG280 |
| site_id | AE1 |
| Number of Residues | 1 |
| Details | binding site for residue ACT B 406 |
| Chain | Residue |
| B | ASP7 |
| site_id | AE2 |
| Number of Residues | 2 |
| Details | binding site for residue PEG B 408 |
| Chain | Residue |
| B | PHE142 |
| B | GLU232 |
| site_id | AE3 |
| Number of Residues | 1 |
| Details | binding site for residue PGE B 409 |
| Chain | Residue |
| B | GLU253 |
| site_id | AE4 |
| Number of Residues | 4 |
| Details | binding site for residue PEG B 410 |
| Chain | Residue |
| B | PRO243 |
| B | ILE244 |
| B | ASP246 |
| B | PHE247 |
| site_id | AE5 |
| Number of Residues | 2 |
| Details | binding site for residue ACT B 411 |
| Chain | Residue |
| B | ARG146 |
| B | HOH501 |
| site_id | AE6 |
| Number of Residues | 9 |
| Details | binding site for residue FES C 101 |
| Chain | Residue |
| C | SER39 |
| C | CYS40 |
| C | ARG41 |
| C | GLY43 |
| C | ALA44 |
| C | CYS45 |
| C | CYS48 |
| C | LEU76 |
| C | CYS78 |
| site_id | AE7 |
| Number of Residues | 2 |
| Details | binding site for residue PEG C 102 |
| Chain | Residue |
| C | PHE64 |
| C | PEG104 |
| site_id | AE8 |
| Number of Residues | 4 |
| Details | binding site for residue PEG C 103 |
| Chain | Residue |
| C | ASP35 |
| C | LEU36 |
| C | PRO37 |
| C | PHE38 |
| site_id | AE9 |
| Number of Residues | 4 |
| Details | binding site for residue PEG C 104 |
| Chain | Residue |
| C | ASP67 |
| C | ASP67 |
| C | PEG102 |
| C | HOH211 |
| site_id | AF1 |
| Number of Residues | 3 |
| Details | binding site for residue PEG C 105 |
| Chain | Residue |
| B | LYS309 |
| C | ASP68 |
| C | LEU96 |
| site_id | AF2 |
| Number of Residues | 2 |
| Details | binding site for residue ACT D 5201 |
| Chain | Residue |
| A | ASN306 |
| D | ASP94 |
| site_id | AF3 |
| Number of Residues | 9 |
| Details | binding site for residue FES D 5202 |
| Chain | Residue |
| D | SER39 |
| D | CYS40 |
| D | ARG41 |
| D | GLY43 |
| D | ALA44 |
| D | CYS45 |
| D | CYS48 |
| D | LEU76 |
| D | CYS78 |
| site_id | AF4 |
| Number of Residues | 1 |
| Details | binding site for residue PEG D 5203 |
| Chain | Residue |
| A | LYS309 |
Functional Information from PROSITE/UniProt
| site_id | PS00197 |
| Number of Residues | 9 |
| Details | 2FE2S_FER_1 2Fe-2S ferredoxin-type iron-sulfur binding region signature. CRAGACSTC |
| Chain | Residue | Details |
| C | CYS40-CYS48 |
