4APN
Structure of TR from Leishmania infantum in complex with a diarylpirrole-based inhibitor
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 | 0005737 | cellular_component | cytoplasm |
| A | 0005739 | cellular_component | mitochondrion |
| A | 0005829 | cellular_component | cytosol |
| A | 0006749 | biological_process | glutathione metabolic process |
| 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 | 0034599 | biological_process | cellular response to oxidative stress |
| A | 0045454 | biological_process | cell redox homeostasis |
| A | 0050660 | molecular_function | flavin adenine dinucleotide binding |
| A | 0098869 | biological_process | cellular oxidant detoxification |
| B | 0000166 | molecular_function | nucleotide binding |
| B | 0004362 | molecular_function | glutathione-disulfide reductase (NADPH) activity |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005739 | cellular_component | mitochondrion |
| B | 0005829 | cellular_component | cytosol |
| B | 0006749 | biological_process | glutathione metabolic process |
| 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 | 0034599 | biological_process | cellular response to oxidative stress |
| B | 0045454 | biological_process | cell redox homeostasis |
| B | 0050660 | molecular_function | flavin adenine dinucleotide binding |
| B | 0098869 | biological_process | cellular oxidant detoxification |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 30 |
| Details | BINDING SITE FOR RESIDUE FAD A 1489 |
| Chain | Residue |
| A | GLY11 |
| A | THR51 |
| A | CYS52 |
| A | GLY56 |
| A | CYS57 |
| A | LYS60 |
| A | GLY127 |
| A | ALA159 |
| A | THR160 |
| A | GLY161 |
| A | ARG287 |
| A | GLY13 |
| A | ARG290 |
| A | LEU294 |
| A | GLY326 |
| A | ASP327 |
| A | MET333 |
| A | LEU334 |
| A | THR335 |
| A | PRO336 |
| A | NDP1490 |
| B | HIS461 |
| A | SER14 |
| B | PRO462 |
| A | GLY15 |
| A | VAL34 |
| A | ASP35 |
| A | ALA46 |
| A | ALA47 |
| A | GLY50 |
| site_id | AC2 |
| Number of Residues | 29 |
| Details | BINDING SITE FOR RESIDUE FAD B 1489 |
| Chain | Residue |
| A | HIS461 |
| A | PRO462 |
| B | GLY11 |
| B | GLY13 |
| B | SER14 |
| B | GLY15 |
| B | VAL34 |
| B | ASP35 |
| B | ALA46 |
| B | ALA47 |
| B | GLY50 |
| B | THR51 |
| B | CYS52 |
| B | GLY56 |
| B | CYS57 |
| B | LYS60 |
| B | GLY127 |
| B | ALA159 |
| B | THR160 |
| B | GLY161 |
| B | ARG287 |
| B | ARG290 |
| B | GLY326 |
| B | ASP327 |
| B | MET333 |
| B | LEU334 |
| B | THR335 |
| B | PRO336 |
| B | NDP1490 |
| site_id | AC3 |
| Number of Residues | 18 |
| Details | BINDING SITE FOR RESIDUE NDP A 1490 |
| Chain | Residue |
| A | LYS60 |
| A | GLY196 |
| A | GLY197 |
| A | TYR198 |
| A | ILE199 |
| A | GLU202 |
| A | TYR221 |
| A | ARG222 |
| A | ARG228 |
| A | ASN254 |
| A | ALA284 |
| A | ILE285 |
| A | GLY286 |
| A | ARG287 |
| A | MET333 |
| A | LEU334 |
| A | ALA365 |
| A | FAD1489 |
| site_id | AC4 |
| Number of Residues | 19 |
| Details | BINDING SITE FOR RESIDUE NDP B 1490 |
| Chain | Residue |
| B | LYS60 |
| B | GLY196 |
| B | GLY197 |
| B | TYR198 |
| B | ILE199 |
| B | GLU202 |
| B | TYR221 |
| B | ARG222 |
| B | ARG228 |
| B | ASN254 |
| B | ALA284 |
| B | ILE285 |
| B | GLY286 |
| B | ARG287 |
| B | MET333 |
| B | LEU334 |
| B | ALA365 |
| B | PHE367 |
| B | FAD1489 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE JV0 B 1491 |
| Chain | Residue |
| B | PHE396 |
| B | GLU467 |
| B | JV01494 |
| A | SER14 |
| A | LEU17 |
| A | GLU18 |
| site_id | AC6 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE JV0 B 1492 |
| Chain | Residue |
| A | SER394 |
| A | SER395 |
| A | PHE396 |
| A | GLU467 |
| B | SER14 |
| B | LEU17 |
| B | GLU18 |
| B | TRP21 |
| B | TYR110 |
| B | JV01493 |
| site_id | AC7 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE JV0 B 1493 |
| Chain | Residue |
| A | PHE396 |
| A | THR397 |
| B | VAL53 |
| B | SER109 |
| B | TYR110 |
| B | MET113 |
| B | JV01492 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE JV0 B 1494 |
| Chain | Residue |
| A | VAL53 |
| A | VAL58 |
| A | SER109 |
| B | JV01491 |
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 |
