2WOW
Trypanosoma brucei trypanothione reductase with NADP and trypanothione bound
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 | 0005654 | cellular_component | nucleoplasm |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0015036 | molecular_function | disulfide oxidoreductase activity |
| A | 0015042 | molecular_function | trypanothione-disulfide reductase (NADPH) activity |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0016668 | molecular_function | oxidoreductase activity, acting on a sulfur group of donors, NAD(P) as acceptor |
| A | 0020015 | cellular_component | glycosome |
| A | 0020023 | cellular_component | kinetoplast |
| A | 0031981 | cellular_component | nuclear lumen |
| A | 0045454 | biological_process | cell redox homeostasis |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0050660 | molecular_function | flavin adenine dinucleotide binding |
| A | 0097014 | cellular_component | ciliary plasm |
| A | 0098869 | biological_process | cellular oxidant detoxification |
| B | 0000166 | molecular_function | nucleotide binding |
| B | 0004791 | molecular_function | thioredoxin-disulfide reductase (NADPH) activity |
| B | 0005654 | cellular_component | nucleoplasm |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0015036 | molecular_function | disulfide oxidoreductase activity |
| B | 0015042 | molecular_function | trypanothione-disulfide reductase (NADPH) activity |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0016668 | molecular_function | oxidoreductase activity, acting on a sulfur group of donors, NAD(P) as acceptor |
| B | 0020015 | cellular_component | glycosome |
| B | 0020023 | cellular_component | kinetoplast |
| B | 0031981 | cellular_component | nuclear lumen |
| B | 0045454 | biological_process | cell redox homeostasis |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0050660 | molecular_function | flavin adenine dinucleotide binding |
| B | 0097014 | cellular_component | ciliary plasm |
| B | 0098869 | biological_process | cellular oxidant detoxification |
| C | 0000166 | molecular_function | nucleotide binding |
| C | 0004791 | molecular_function | thioredoxin-disulfide reductase (NADPH) activity |
| C | 0005654 | cellular_component | nucleoplasm |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0015036 | molecular_function | disulfide oxidoreductase activity |
| C | 0015042 | molecular_function | trypanothione-disulfide reductase (NADPH) activity |
| C | 0016491 | molecular_function | oxidoreductase activity |
| C | 0016668 | molecular_function | oxidoreductase activity, acting on a sulfur group of donors, NAD(P) as acceptor |
| C | 0020015 | cellular_component | glycosome |
| C | 0020023 | cellular_component | kinetoplast |
| C | 0031981 | cellular_component | nuclear lumen |
| C | 0045454 | biological_process | cell redox homeostasis |
| C | 0046872 | molecular_function | metal ion binding |
| C | 0050660 | molecular_function | flavin adenine dinucleotide binding |
| C | 0097014 | cellular_component | ciliary plasm |
| C | 0098869 | biological_process | cellular oxidant detoxification |
| D | 0000166 | molecular_function | nucleotide binding |
| D | 0004791 | molecular_function | thioredoxin-disulfide reductase (NADPH) activity |
| D | 0005654 | cellular_component | nucleoplasm |
| D | 0005737 | cellular_component | cytoplasm |
| D | 0015036 | molecular_function | disulfide oxidoreductase activity |
| D | 0015042 | molecular_function | trypanothione-disulfide reductase (NADPH) activity |
| D | 0016491 | molecular_function | oxidoreductase activity |
| D | 0016668 | molecular_function | oxidoreductase activity, acting on a sulfur group of donors, NAD(P) as acceptor |
| D | 0020015 | cellular_component | glycosome |
| D | 0020023 | cellular_component | kinetoplast |
| D | 0031981 | cellular_component | nuclear lumen |
| D | 0045454 | biological_process | cell redox homeostasis |
| D | 0046872 | molecular_function | metal ion binding |
| D | 0050660 | molecular_function | flavin adenine dinucleotide binding |
| D | 0097014 | cellular_component | ciliary plasm |
| D | 0098869 | biological_process | cellular oxidant detoxification |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 38 |
| Details | BINDING SITE FOR RESIDUE FAD A 700 |
| Chain | Residue |
| A | ILE10 |
| A | THR51 |
| A | CYS52 |
| A | VAL55 |
| A | GLY56 |
| A | CYS57 |
| A | LYS60 |
| A | GLY125 |
| A | TRP126 |
| A | GLY127 |
| A | ALA159 |
| A | GLY11 |
| A | THR160 |
| A | GLY161 |
| A | ARG287 |
| A | ARG290 |
| A | GLY326 |
| A | ASP327 |
| A | MET333 |
| A | LEU334 |
| A | THR335 |
| A | PRO336 |
| A | GLY13 |
| A | ALA338 |
| A | PHE367 |
| A | NDP800 |
| A | HOH2057 |
| A | HOH2107 |
| A | HOH2160 |
| A | HOH2161 |
| A | HOH2162 |
| B | HIS461 |
| A | SER14 |
| A | GLY15 |
| A | ASP35 |
| A | ALA46 |
| A | ALA47 |
| A | GLY50 |
| site_id | AC2 |
| Number of Residues | 28 |
| Details | BINDING SITE FOR RESIDUE NDP A 800 |
| Chain | Residue |
| A | LYS60 |
| A | GLY196 |
| A | GLY197 |
| A | PHE198 |
| A | ILE199 |
| A | GLU202 |
| A | TYR221 |
| A | ARG222 |
| A | ASN223 |
| A | ARG228 |
| A | ASN254 |
| A | ALA284 |
| A | ILE285 |
| A | GLY286 |
| A | MET333 |
| A | LEU334 |
| A | ALA365 |
| A | PHE367 |
| A | FAD700 |
| A | HOH2117 |
| A | HOH2136 |
| A | HOH2163 |
| A | HOH2164 |
| A | HOH2165 |
| A | HOH2166 |
| A | HOH2167 |
| A | HOH2168 |
| A | HOH2169 |
| site_id | AC3 |
| Number of Residues | 25 |
| Details | BINDING SITE FOR RESIDUE GCG A 1001 |
| Chain | Residue |
| A | SER14 |
| A | LEU17 |
| A | GLU18 |
| A | TRP21 |
| A | CYS52 |
| A | VAL53 |
| A | VAL58 |
| A | TYR110 |
| A | ILE339 |
| A | HOH2170 |
| A | HOH2171 |
| A | HOH2172 |
| A | HOH2173 |
| A | HOH2174 |
| B | MET393 |
| B | SER394 |
| B | SER395 |
| B | PHE396 |
| B | LEU399 |
| B | HIS461 |
| B | PRO462 |
| B | THR463 |
| B | GLU466 |
| B | GLU467 |
| B | SER470 |
| site_id | AC4 |
| Number of Residues | 41 |
| Details | BINDING SITE FOR RESIDUE FAD B 700 |
| Chain | Residue |
| B | VAL36 |
| B | ALA46 |
| B | ALA47 |
| B | GLY50 |
| B | THR51 |
| B | CYS52 |
| B | VAL55 |
| B | GLY56 |
| B | CYS57 |
| B | LYS60 |
| B | GLY125 |
| B | TRP126 |
| B | GLY127 |
| B | ALA159 |
| B | THR160 |
| B | GLY161 |
| B | ILE199 |
| B | ARG287 |
| B | ARG290 |
| B | GLY326 |
| B | ASP327 |
| B | MET333 |
| B | LEU334 |
| B | THR335 |
| B | PRO336 |
| B | ALA338 |
| B | NDP800 |
| B | HOH2001 |
| B | HOH2097 |
| B | HOH2107 |
| B | HOH2139 |
| B | HOH2140 |
| B | HOH2141 |
| A | HIS461 |
| A | PRO462 |
| B | GLY11 |
| B | GLY13 |
| B | SER14 |
| B | GLY15 |
| B | VAL34 |
| B | ASP35 |
| site_id | AC5 |
| Number of Residues | 24 |
| Details | BINDING SITE FOR RESIDUE NDP B 800 |
| Chain | Residue |
| B | LYS60 |
| B | GLY196 |
| B | GLY197 |
| B | PHE198 |
| B | ILE199 |
| B | GLU202 |
| B | TYR221 |
| B | ARG222 |
| B | ASN223 |
| B | ARG228 |
| B | ASN254 |
| B | ILE285 |
| B | GLY286 |
| B | MET333 |
| B | LEU334 |
| B | ALA365 |
| B | FAD700 |
| B | HOH2061 |
| B | HOH2095 |
| B | HOH2142 |
| B | HOH2143 |
| B | HOH2144 |
| B | HOH2145 |
| B | HOH2146 |
| site_id | AC6 |
| Number of Residues | 25 |
| Details | BINDING SITE FOR RESIDUE GCG B 1001 |
| Chain | Residue |
| A | MET393 |
| A | SER394 |
| A | SER395 |
| A | PHE396 |
| A | PRO398 |
| A | LEU399 |
| A | HIS461 |
| A | PRO462 |
| A | THR463 |
| A | GLU466 |
| A | GLU467 |
| A | SER470 |
| B | SER14 |
| B | LEU17 |
| B | GLU18 |
| B | TRP21 |
| B | CYS52 |
| B | VAL53 |
| B | VAL58 |
| B | TYR110 |
| B | ILE339 |
| B | HOH2009 |
| B | HOH2147 |
| B | HOH2148 |
| B | HOH2149 |
| site_id | AC7 |
| Number of Residues | 42 |
| Details | BINDING SITE FOR RESIDUE FAD C 700 |
| Chain | Residue |
| C | ILE10 |
| C | GLY11 |
| C | GLY13 |
| C | SER14 |
| C | GLY15 |
| C | VAL34 |
| C | ASP35 |
| C | VAL36 |
| C | ALA46 |
| C | ALA47 |
| C | GLY50 |
| C | THR51 |
| C | CYS52 |
| C | VAL55 |
| C | GLY56 |
| C | CYS57 |
| C | LYS60 |
| C | GLY125 |
| C | TRP126 |
| C | GLY127 |
| C | ALA159 |
| C | THR160 |
| C | GLY161 |
| C | ARG287 |
| C | ARG290 |
| C | GLY326 |
| C | ASP327 |
| C | MET333 |
| C | LEU334 |
| C | THR335 |
| C | PRO336 |
| C | ALA338 |
| C | PHE367 |
| C | NDP800 |
| C | HOH2051 |
| C | HOH2095 |
| C | HOH2098 |
| C | HOH2106 |
| C | HOH2162 |
| C | HOH2163 |
| D | HIS461 |
| D | PRO462 |
| site_id | AC8 |
| Number of Residues | 26 |
| Details | BINDING SITE FOR RESIDUE NDP C 800 |
| Chain | Residue |
| C | LYS60 |
| C | GLY196 |
| C | GLY197 |
| C | PHE198 |
| C | ILE199 |
| C | GLU202 |
| C | TYR221 |
| C | ARG222 |
| C | ASN223 |
| C | ARG228 |
| C | ASN254 |
| C | ALA284 |
| C | ILE285 |
| C | GLY286 |
| C | MET333 |
| C | LEU334 |
| C | ALA365 |
| C | PHE367 |
| C | FAD700 |
| C | HOH2120 |
| C | HOH2164 |
| C | HOH2165 |
| C | HOH2166 |
| C | HOH2167 |
| C | HOH2168 |
| C | HOH2169 |
| site_id | AC9 |
| Number of Residues | 24 |
| Details | BINDING SITE FOR RESIDUE GCG C 1001 |
| Chain | Residue |
| C | SER14 |
| C | LEU17 |
| C | GLU18 |
| C | TRP21 |
| C | CYS52 |
| C | VAL53 |
| C | VAL58 |
| C | TYR110 |
| C | ILE339 |
| C | HOH2017 |
| C | HOH2170 |
| C | HOH2171 |
| D | SER394 |
| D | SER395 |
| D | PHE396 |
| D | LEU399 |
| D | HIS461 |
| D | PRO462 |
| D | THR463 |
| D | GLU466 |
| D | GLU467 |
| D | SER470 |
| D | HOH2110 |
| D | HOH2129 |
| site_id | BC1 |
| Number of Residues | 39 |
| Details | BINDING SITE FOR RESIDUE FAD D 700 |
| Chain | Residue |
| C | HIS461 |
| C | PRO462 |
| D | ILE10 |
| D | GLY11 |
| D | GLY13 |
| D | SER14 |
| D | GLY15 |
| D | VAL34 |
| D | ASP35 |
| D | VAL36 |
| D | ALA46 |
| D | ALA47 |
| D | GLY50 |
| D | THR51 |
| D | CYS52 |
| D | VAL55 |
| D | GLY56 |
| D | CYS57 |
| D | LYS60 |
| D | GLY125 |
| D | GLY127 |
| D | ALA159 |
| D | THR160 |
| D | GLY161 |
| D | ARG287 |
| D | ARG290 |
| D | GLY326 |
| D | ASP327 |
| D | MET333 |
| D | LEU334 |
| D | THR335 |
| D | PRO336 |
| D | NDP800 |
| D | HOH2001 |
| D | HOH2024 |
| D | HOH2085 |
| D | HOH2133 |
| D | HOH2134 |
| D | HOH2135 |
| site_id | BC2 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE NDP D 800 |
| Chain | Residue |
| D | LYS60 |
| D | GLY196 |
| D | GLY197 |
| D | PHE198 |
| D | ILE199 |
| D | GLU202 |
| D | TYR221 |
| D | ARG222 |
| D | ASN223 |
| D | ARG228 |
| D | ASN254 |
| D | ALA284 |
| D | ILE285 |
| D | GLY286 |
| D | MET333 |
| D | LEU334 |
| D | ALA365 |
| D | FAD700 |
| D | HOH2075 |
| D | HOH2136 |
| D | HOH2137 |
| D | HOH2138 |
| D | HOH2139 |
| site_id | BC3 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE GCG D 1001 |
| Chain | Residue |
| C | MET393 |
| C | SER394 |
| C | SER395 |
| C | PHE396 |
| C | PRO398 |
| C | LEU399 |
| C | HIS461 |
| C | PRO462 |
| C | THR463 |
| C | GLU466 |
| C | GLU467 |
| C | SER470 |
| C | HOH2155 |
| D | SER14 |
| D | LEU17 |
| D | GLU18 |
| D | TRP21 |
| D | CYS52 |
| D | VAL58 |
| D | TYR110 |
| D | ILE339 |
| D | HOH2005 |
| D | HOH2140 |
Functional Information from PROSITE/UniProt
| site_id | PS00076 |
| Number of Residues | 11 |
| Details | PYRIDINE_REDOX_1 Pyridine nucleotide-disulphide oxidoreductases class-I active site. GGtCVnvGCVP |
| Chain | Residue | Details |
| A | GLY49-PRO59 |
