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 | 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 | 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 | 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 | 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 |