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 | 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 |
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 |