2X99
Thioredoxin glutathione reductase from Schistosoma mansoni in complex with NADPH
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0004362 | molecular_function | glutathione-disulfide reductase (NADPH) activity |
| A | 0004791 | molecular_function | thioredoxin-disulfide reductase (NADPH) activity |
| A | 0005739 | cellular_component | mitochondrion |
| A | 0005829 | cellular_component | cytosol |
| A | 0006749 | biological_process | glutathione metabolic process |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0016668 | molecular_function | oxidoreductase activity, acting on a sulfur group of donors, NAD(P) as acceptor |
| A | 0034599 | biological_process | cellular response to oxidative stress |
| A | 0045454 | biological_process | cell redox homeostasis |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0050660 | molecular_function | flavin adenine dinucleotide binding |
| A | 0098869 | biological_process | cellular oxidant detoxification |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 36 |
| Details | BINDING SITE FOR RESIDUE FAD A 1593 |
| Chain | Residue |
| A | ILE113 |
| A | THR153 |
| A | CYS154 |
| A | GLY158 |
| A | CYS159 |
| A | LYS162 |
| A | ALA226 |
| A | LYS227 |
| A | GLY228 |
| A | ALA256 |
| A | THR257 |
| A | GLY114 |
| A | GLY258 |
| A | ARG393 |
| A | GLY432 |
| A | ASP433 |
| A | GLN440 |
| A | LEU441 |
| A | THR442 |
| A | PRO443 |
| A | HIS571 |
| A | NDP602 |
| A | GLY115 |
| A | GSH604 |
| A | HOH725 |
| A | HOH742 |
| A | HOH727 |
| A | HOH717 |
| A | HOH748 |
| A | HOH751 |
| A | GLY116 |
| A | SER117 |
| A | GLY118 |
| A | ASP137 |
| A | TYR138 |
| A | GLY152 |
| site_id | AC2 |
| Number of Residues | 22 |
| Details | BINDING SITE FOR RESIDUE NDP A 1594 |
| Chain | Residue |
| A | LYS162 |
| A | ALA294 |
| A | SER295 |
| A | TYR296 |
| A | VAL297 |
| A | GLU300 |
| A | ARG317 |
| A | SER318 |
| A | ARG322 |
| A | ALA390 |
| A | VAL391 |
| A | GLY392 |
| A | GLN440 |
| A | LEU441 |
| A | THR472 |
| A | FAD601 |
| A | PG4614 |
| A | HOH788 |
| A | HOH767 |
| A | HOH793 |
| A | HOH744 |
| A | HOH769 |
| site_id | AC3 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE GSH A 1595 |
| Chain | Residue |
| A | LYS25 |
| A | CYS28 |
| A | TYR30 |
| A | GLN60 |
| A | THR71 |
| A | VAL72 |
| A | PRO73 |
| A | ASP84 |
| A | SER85 |
| A | GLN86 |
| A | HOH712 |
| site_id | AC4 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GSH A 1596 |
| Chain | Residue |
| A | LYS227 |
| A | ARG229 |
| A | LEU230 |
| A | GLN396 |
| A | LEU401 |
| A | CYS402 |
| A | VAL405 |
| A | FAD601 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CA A 1597 |
| Chain | Residue |
| A | GLN447 |
| A | ASP565 |
| A | THR567 |
| A | THR579 |
| A | HOH798 |
| site_id | AC6 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE PEG A 1598 |
| Chain | Residue |
| A | GLU462 |
| A | LEU463 |
| A | THR464 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE PEG A 1608 |
| Chain | Residue |
| A | ALA64 |
| A | SER65 |
| A | PHE66 |
| A | LYS68 |
| A | HOH768 |
| site_id | AC8 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE PEG A 1599 |
| Chain | Residue |
| A | SER172 |
| A | HIS173 |
| A | GLU176 |
| A | ALA306 |
| A | SER307 |
| A | HIS339 |
| A | HOH785 |
| site_id | AC9 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE PEG A 1600 |
| Chain | Residue |
| A | PRO542 |
| A | GLN167 |
| A | TRP510 |
| site_id | BC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE PEG A 1601 |
| Chain | Residue |
| A | LYS13 |
| A | ASP420 |
| A | TYR429 |
| A | ARG455 |
| A | HOH701 |
| site_id | BC2 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE PEG A 1602 |
| Chain | Residue |
| A | LEU53 |
| A | ASN55 |
| site_id | BC3 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE PG4 A 1603 |
| Chain | Residue |
| A | SER318 |
| A | LEU320 |
| A | GLN326 |
| A | GLU330 |
| A | GLY333 |
| A | ASP334 |
| A | GLU337 |
| A | PHE343 |
| A | LYS345 |
| site_id | BC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE PG4 A 1604 |
| Chain | Residue |
| A | TYR138 |
| A | ASN225 |
| A | THR239 |
| A | ASP240 |
| A | LYS241 |
| site_id | BC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE PG4 A 1605 |
| Chain | Residue |
| A | ASP488 |
| A | GLU491 |
| A | LYS492 |
| A | HOH732 |
| site_id | BC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE PG4 A 1606 |
| Chain | Residue |
| A | LYS262 |
| A | PRO264 |
| A | GLU265 |
| A | PRO349 |
| A | VAL391 |
| A | NDP602 |
| site_id | BC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE PG4 A 1607 |
| Chain | Residue |
| A | ASN102 |
| A | GLU103 |
| A | SER104 |
| A | LYS105 |
| A | ASP107 |
Functional Information from PROSITE/UniProt
| site_id | PS00076 |
| Number of Residues | 11 |
| Details | PYRIDINE_REDOX_1 Pyridine nucleotide-disulphide oxidoreductases class-I active site. GGtCVnvGCIP |
| Chain | Residue | Details |
| A | GLY151-PRO161 |
| site_id | PS00194 |
| Number of Residues | 19 |
| Details | THIOREDOXIN_1 Thioredoxin family active site. VIlFSktTCPYCKkVkdvL |
| Chain | Residue | Details |
| A | VAL20-LEU38 |
| site_id | PS00195 |
| Number of Residues | 17 |
| Details | GLUTAREDOXIN_1 Glutaredoxin active site. LFskttCPYCkkVkdvL |
| Chain | Residue | Details |
| A | LEU22-LEU38 |
