6RB5
Trypanothione reductase in complex with 4-(((3-(8-(2-((1R,2S,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl)ethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)propyl)(methyl)amino)methyl)-4-hydroxypiperidine-1-carboximidamide
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 |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 39 |
| Details | binding site for residue FAD A 501 |
| Chain | Residue |
| A | ILE10 |
| A | GLY50 |
| A | THR51 |
| A | CYS52 |
| A | GLY56 |
| A | CYS57 |
| A | LYS60 |
| A | GLY125 |
| A | TRP126 |
| A | GLY127 |
| A | ALA159 |
| A | GLY11 |
| A | THR160 |
| A | GLY161 |
| A | PHE198 |
| A | ARG287 |
| A | ARG290 |
| A | GLY326 |
| A | ASP327 |
| A | MET333 |
| A | LEU334 |
| A | THR335 |
| A | GLY13 |
| A | PRO336 |
| A | HOH624 |
| A | HOH627 |
| A | HOH656 |
| A | HOH657 |
| A | HOH670 |
| A | HOH687 |
| A | HOH704 |
| A | HOH705 |
| B | HIS461 |
| A | SER14 |
| A | GLY15 |
| A | VAL34 |
| A | ASP35 |
| A | ALA46 |
| A | ALA47 |
| site_id | AC2 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 A 502 |
| Chain | Residue |
| A | ARG138 |
| A | VAL147 |
| A | ARG150 |
| site_id | AC3 |
| Number of Residues | 2 |
| Details | binding site for residue SO4 A 503 |
| Chain | Residue |
| A | ARG189 |
| A | ARG190 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 A 504 |
| Chain | Residue |
| A | ASP312 |
| A | ARG316 |
| B | ASP312 |
| B | ARG316 |
| site_id | AC5 |
| Number of Residues | 2 |
| Details | binding site for residue SO4 A 505 |
| Chain | Residue |
| A | ARG361 |
| A | ASN448 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | binding site for residue SO4 A 506 |
| Chain | Residue |
| A | TYR221 |
| A | ARG222 |
| A | ASN223 |
| A | ARG228 |
| A | HOH602 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | binding site for residue SO4 A 507 |
| Chain | Residue |
| A | HOH647 |
| A | HOH702 |
| A | HOH731 |
| A | HOH743 |
| A | HOH744 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | binding site for residue JWZ A 508 |
| Chain | Residue |
| A | GLU18 |
| A | SER109 |
| A | MET113 |
| B | HIS461 |
| site_id | AC9 |
| Number of Residues | 6 |
| Details | binding site for residue JWZ A 509 |
| Chain | Residue |
| A | LEU73 |
| A | GLY85 |
| A | SER86 |
| A | VAL88 |
| A | LYS89 |
| A | PRO213 |
| site_id | AD1 |
| Number of Residues | 4 |
| Details | binding site for residue GOL A 510 |
| Chain | Residue |
| A | TRP163 |
| A | ARG290 |
| A | ASP293 |
| A | HOH791 |
| site_id | AD2 |
| Number of Residues | 5 |
| Details | binding site for residue GOL A 511 |
| Chain | Residue |
| A | TYR221 |
| A | ASN223 |
| A | LEU225 |
| A | ARG228 |
| A | ARG235 |
| site_id | AD3 |
| Number of Residues | 40 |
| Details | binding site for residue FAD B 501 |
| Chain | Residue |
| B | ALA159 |
| B | THR160 |
| B | GLY161 |
| B | PHE198 |
| B | ARG287 |
| B | ARG290 |
| B | GLY326 |
| B | ASP327 |
| B | MET333 |
| B | LEU334 |
| B | THR335 |
| B | PRO336 |
| B | HOH630 |
| B | HOH634 |
| B | HOH657 |
| B | HOH658 |
| B | HOH683 |
| B | HOH707 |
| B | HOH713 |
| B | HOH759 |
| A | HIS461 |
| B | ILE10 |
| B | GLY11 |
| B | GLY13 |
| B | SER14 |
| B | GLY15 |
| B | VAL34 |
| B | ASP35 |
| B | VAL36 |
| B | ALA46 |
| B | ALA47 |
| B | GLY50 |
| B | THR51 |
| B | CYS52 |
| B | GLY56 |
| B | CYS57 |
| B | LYS60 |
| B | GLY125 |
| B | TRP126 |
| B | GLY127 |
| site_id | AD4 |
| Number of Residues | 8 |
| Details | binding site for residue SO4 B 502 |
| Chain | Residue |
| B | GLY197 |
| B | HOH601 |
| B | HOH606 |
| B | HOH635 |
| B | HOH661 |
| B | HOH689 |
| B | HOH706 |
| B | HOH732 |
| site_id | AD5 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 B 503 |
| Chain | Residue |
| B | ARG189 |
| B | ARG190 |
| B | HOH644 |
| site_id | AD6 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 B 504 |
| Chain | Residue |
| B | TYR221 |
| B | ARG222 |
| B | ARG228 |
| B | HOH784 |
| site_id | AD7 |
| Number of Residues | 5 |
| Details | binding site for residue SO4 B 505 |
| Chain | Residue |
| B | ARG228 |
| B | ARG235 |
| B | HOH628 |
| B | HOH703 |
| B | HOH783 |
| site_id | AD8 |
| Number of Residues | 7 |
| Details | binding site for residue JWZ B 506 |
| Chain | Residue |
| A | HOH730 |
| B | GLU18 |
| B | VAL53 |
| B | VAL58 |
| B | SER109 |
| B | TYR110 |
| B | MET113 |
| site_id | AD9 |
| Number of Residues | 5 |
| Details | binding site for residue JWZ B 507 |
| Chain | Residue |
| B | GLY85 |
| B | SER86 |
| B | VAL88 |
| B | LYS89 |
| B | PRO213 |
| site_id | AE1 |
| Number of Residues | 6 |
| Details | binding site for residue GOL B 508 |
| Chain | Residue |
| B | HIS359 |
| B | THR360 |
| B | ARG361 |
| B | VAL362 |
| B | GLY376 |
| B | HOH781 |
| site_id | AE2 |
| Number of Residues | 3 |
| Details | binding site for residue GOL B 509 |
| Chain | Residue |
| B | MET471 |
| B | ARG472 |
| B | THR473 |
| site_id | AE3 |
| Number of Residues | 2 |
| Details | binding site for residue GOL B 510 |
| Chain | Residue |
| B | ARG138 |
| B | ARG150 |
| site_id | AE4 |
| Number of Residues | 5 |
| Details | binding site for residue GOL B 511 |
| Chain | Residue |
| B | LEU399 |
| B | THR463 |
| B | SER464 |
| B | HOH603 |
| B | HOH648 |
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 |
