6B4O
1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase from Enterococcus faecalis in Complex with FAD
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 | 0005829 | cellular_component | cytosol |
A | 0006749 | biological_process | glutathione metabolic process |
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 | 0046872 | molecular_function | metal ion binding |
A | 0050660 | molecular_function | flavin adenine dinucleotide binding |
A | 0050661 | molecular_function | NADP binding |
A | 0098869 | biological_process | cellular oxidant detoxification |
B | 0000166 | molecular_function | nucleotide binding |
B | 0004362 | molecular_function | glutathione-disulfide reductase (NADPH) activity |
B | 0005829 | cellular_component | cytosol |
B | 0006749 | biological_process | glutathione metabolic process |
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 | 0046872 | molecular_function | metal ion binding |
B | 0050660 | molecular_function | flavin adenine dinucleotide binding |
B | 0050661 | molecular_function | NADP binding |
B | 0098869 | biological_process | cellular oxidant detoxification |
C | 0000166 | molecular_function | nucleotide binding |
C | 0004362 | molecular_function | glutathione-disulfide reductase (NADPH) activity |
C | 0005829 | cellular_component | cytosol |
C | 0006749 | biological_process | glutathione metabolic process |
C | 0016491 | molecular_function | oxidoreductase activity |
C | 0016668 | molecular_function | oxidoreductase activity, acting on a sulfur group of donors, NAD(P) as acceptor |
C | 0034599 | biological_process | cellular response to oxidative stress |
C | 0045454 | biological_process | cell redox homeostasis |
C | 0046872 | molecular_function | metal ion binding |
C | 0050660 | molecular_function | flavin adenine dinucleotide binding |
C | 0050661 | molecular_function | NADP binding |
C | 0098869 | biological_process | cellular oxidant detoxification |
D | 0000166 | molecular_function | nucleotide binding |
D | 0004362 | molecular_function | glutathione-disulfide reductase (NADPH) activity |
D | 0005829 | cellular_component | cytosol |
D | 0006749 | biological_process | glutathione metabolic process |
D | 0016491 | molecular_function | oxidoreductase activity |
D | 0016668 | molecular_function | oxidoreductase activity, acting on a sulfur group of donors, NAD(P) as acceptor |
D | 0034599 | biological_process | cellular response to oxidative stress |
D | 0045454 | biological_process | cell redox homeostasis |
D | 0046872 | molecular_function | metal ion binding |
D | 0050660 | molecular_function | flavin adenine dinucleotide binding |
D | 0050661 | molecular_function | NADP binding |
D | 0098869 | biological_process | cellular oxidant detoxification |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 43 |
Details | binding site for residue FAD A 501 |
Chain | Residue |
A | ILE9 |
A | GLY39 |
A | THR40 |
A | CYS41 |
A | GLY45 |
A | CYS46 |
A | LYS49 |
A | GLY112 |
A | TYR113 |
A | ALA114 |
A | ALA137 |
A | GLY10 |
A | THR138 |
A | GLY139 |
A | TYR176 |
A | ARG262 |
A | GLY301 |
A | ASP302 |
A | ASP308 |
A | LEU309 |
A | THR310 |
A | PRO311 |
A | GLY12 |
A | HOH613 |
A | HOH619 |
A | HOH620 |
A | HOH635 |
A | HOH660 |
A | HOH673 |
A | HOH759 |
A | HOH778 |
A | HOH786 |
A | HOH810 |
A | SER13 |
A | HOH823 |
A | HOH877 |
B | HIS438 |
B | PRO439 |
A | GLY14 |
A | ILE32 |
A | GLU33 |
A | GLY34 |
A | ASN35 |
site_id | AC2 |
Number of Residues | 7 |
Details | binding site for residue MG A 502 |
Chain | Residue |
A | ASP92 |
A | HOH639 |
A | HOH662 |
A | HOH876 |
A | HOH915 |
A | HOH993 |
A | HOH1006 |
site_id | AC3 |
Number of Residues | 4 |
Details | binding site for residue MG A 503 |
Chain | Residue |
A | HOH614 |
A | HOH650 |
A | HOH882 |
A | HOH1093 |
site_id | AC4 |
Number of Residues | 5 |
Details | binding site for residue CL A 504 |
Chain | Residue |
A | ASN20 |
A | ARG318 |
A | HOH773 |
A | HOH846 |
A | HOH1009 |
site_id | AC5 |
Number of Residues | 4 |
Details | binding site for residue CL A 505 |
Chain | Residue |
A | ASP207 |
A | GLU355 |
A | LYS356 |
A | HOH938 |
site_id | AC6 |
Number of Residues | 3 |
Details | binding site for residue CL A 506 |
Chain | Residue |
A | GLY259 |
A | GLY261 |
A | HOH1012 |
site_id | AC7 |
Number of Residues | 5 |
Details | binding site for residue CL A 507 |
Chain | Residue |
A | ALA174 |
A | PHE196 |
A | ARG197 |
A | HOH1044 |
A | HOH1070 |
site_id | AC8 |
Number of Residues | 42 |
Details | binding site for residue FAD B 501 |
Chain | Residue |
B | ASP308 |
B | LEU309 |
B | THR310 |
B | PRO311 |
B | HOH607 |
B | HOH628 |
B | HOH631 |
B | HOH642 |
B | HOH704 |
B | HOH722 |
B | HOH727 |
B | HOH743 |
B | HOH771 |
B | HOH928 |
A | HIS438 |
A | PRO439 |
A | HOH791 |
B | ILE9 |
B | GLY10 |
B | GLY12 |
B | SER13 |
B | GLY14 |
B | ILE32 |
B | GLU33 |
B | GLY34 |
B | ASN35 |
B | GLY39 |
B | THR40 |
B | CYS41 |
B | GLY45 |
B | CYS46 |
B | LYS49 |
B | GLY112 |
B | TYR113 |
B | ALA114 |
B | ALA137 |
B | THR138 |
B | GLY139 |
B | TYR176 |
B | ARG262 |
B | GLY301 |
B | ASP302 |
site_id | AC9 |
Number of Residues | 6 |
Details | binding site for residue MG B 502 |
Chain | Residue |
B | ASN28 |
B | HOH688 |
B | HOH959 |
B | HOH1028 |
C | HOH662 |
C | HOH692 |
site_id | AD1 |
Number of Residues | 2 |
Details | binding site for residue MG B 503 |
Chain | Residue |
B | GLU150 |
B | HOH960 |
site_id | AD2 |
Number of Residues | 4 |
Details | binding site for residue MG B 504 |
Chain | Residue |
B | HOH732 |
B | HOH754 |
B | HOH822 |
B | HOH1042 |
site_id | AD3 |
Number of Residues | 4 |
Details | binding site for residue MG B 505 |
Chain | Residue |
B | HOH819 |
B | HOH944 |
B | HOH1029 |
B | HOH1059 |
site_id | AD4 |
Number of Residues | 3 |
Details | binding site for residue CL B 506 |
Chain | Residue |
B | ASP207 |
B | GLU355 |
B | LYS356 |
site_id | AD5 |
Number of Residues | 3 |
Details | binding site for residue CL B 507 |
Chain | Residue |
B | LEU202 |
B | SER204 |
B | HOH967 |
site_id | AD6 |
Number of Residues | 3 |
Details | binding site for residue CL B 508 |
Chain | Residue |
B | GLY259 |
B | GLY261 |
B | HOH1000 |
site_id | AD7 |
Number of Residues | 4 |
Details | binding site for residue CL B 509 |
Chain | Residue |
B | ASN20 |
B | ARG318 |
B | HOH737 |
B | HOH1012 |
site_id | AD8 |
Number of Residues | 4 |
Details | binding site for residue CL B 510 |
Chain | Residue |
B | ALA174 |
B | ARG197 |
B | HOH1036 |
B | HOH1057 |
site_id | AD9 |
Number of Residues | 4 |
Details | binding site for residue CL B 511 |
Chain | Residue |
B | HIS345 |
B | PRO346 |
B | HOH616 |
B | HOH1112 |
site_id | AE1 |
Number of Residues | 42 |
Details | binding site for residue FAD C 501 |
Chain | Residue |
C | ILE9 |
C | GLY10 |
C | GLY12 |
C | SER13 |
C | GLY14 |
C | ILE32 |
C | GLU33 |
C | GLY34 |
C | ASN35 |
C | GLY39 |
C | THR40 |
C | CYS41 |
C | GLY45 |
C | CYS46 |
C | LYS49 |
C | GLY112 |
C | TYR113 |
C | ALA114 |
C | ALA137 |
C | THR138 |
C | GLY139 |
C | TYR176 |
C | ILE177 |
C | ARG262 |
C | GLY301 |
C | ASP302 |
C | ASP308 |
C | LEU309 |
C | THR310 |
C | PRO311 |
C | HOH624 |
C | HOH633 |
C | HOH666 |
C | HOH696 |
C | HOH735 |
C | HOH741 |
C | HOH763 |
C | HOH804 |
C | HOH808 |
D | HIS438 |
D | PRO439 |
D | HOH802 |
site_id | AE2 |
Number of Residues | 6 |
Details | binding site for residue MG C 502 |
Chain | Residue |
C | HOH606 |
C | HOH746 |
C | HOH781 |
C | HOH926 |
C | HOH953 |
C | HOH959 |
site_id | AE3 |
Number of Residues | 4 |
Details | binding site for residue CL C 503 |
Chain | Residue |
C | ASN20 |
C | ARG318 |
C | HOH698 |
C | HOH895 |
site_id | AE4 |
Number of Residues | 3 |
Details | binding site for residue CL C 504 |
Chain | Residue |
C | ASP207 |
C | GLU355 |
C | LYS356 |
site_id | AE5 |
Number of Residues | 4 |
Details | binding site for residue CL C 505 |
Chain | Residue |
C | GLY259 |
C | GLY261 |
C | HOH915 |
C | HOH927 |
site_id | AE6 |
Number of Residues | 40 |
Details | binding site for residue FAD D 501 |
Chain | Residue |
C | HIS438 |
C | PRO439 |
D | ILE9 |
D | GLY10 |
D | GLY12 |
D | SER13 |
D | GLY14 |
D | GLU33 |
D | GLY34 |
D | ASN35 |
D | GLY39 |
D | THR40 |
D | CYS41 |
D | GLY45 |
D | CYS46 |
D | LYS49 |
D | GLY112 |
D | TYR113 |
D | ALA114 |
D | ALA137 |
D | THR138 |
D | GLY139 |
D | TYR176 |
D | ARG262 |
D | GLY301 |
D | ASP302 |
D | ASP308 |
D | LEU309 |
D | THR310 |
D | PRO311 |
D | HOH640 |
D | HOH642 |
D | HOH701 |
D | HOH702 |
D | HOH705 |
D | HOH745 |
D | HOH758 |
D | HOH759 |
D | HOH829 |
D | HOH892 |
site_id | AE7 |
Number of Residues | 2 |
Details | binding site for residue MG D 502 |
Chain | Residue |
D | GLU150 |
D | HOH961 |
site_id | AE8 |
Number of Residues | 1 |
Details | binding site for residue MG D 503 |
Chain | Residue |
D | HOH818 |
site_id | AE9 |
Number of Residues | 6 |
Details | binding site for residue MG D 504 |
Chain | Residue |
D | ASP92 |
D | HOH605 |
D | HOH628 |
D | HOH884 |
D | HOH950 |
D | HOH984 |
site_id | AF1 |
Number of Residues | 5 |
Details | binding site for residue MG D 505 |
Chain | Residue |
A | HOH861 |
A | HOH1083 |
D | HOH698 |
D | HOH748 |
D | HOH1091 |
site_id | AF2 |
Number of Residues | 4 |
Details | binding site for residue CL D 506 |
Chain | Residue |
D | ASP207 |
D | GLU355 |
D | LYS356 |
D | HOH971 |
site_id | AF3 |
Number of Residues | 4 |
Details | binding site for residue CL D 507 |
Chain | Residue |
D | LEU202 |
D | ARG203 |
D | SER204 |
D | HOH927 |
site_id | AF4 |
Number of Residues | 5 |
Details | binding site for residue CL D 508 |
Chain | Residue |
D | ASN20 |
D | ARG318 |
D | HOH667 |
D | HOH1007 |
D | HOH1067 |
site_id | AF5 |
Number of Residues | 6 |
Details | binding site for residue CL D 509 |
Chain | Residue |
D | ALA174 |
D | PHE196 |
D | ARG197 |
D | HOH1024 |
D | HOH1049 |
D | HOH1070 |
site_id | AF6 |
Number of Residues | 4 |
Details | binding site for residue CL D 510 |
Chain | Residue |
D | GLY259 |
D | GLY261 |
D | HOH964 |
D | HOH994 |
site_id | AF7 |
Number of Residues | 4 |
Details | binding site for residue CL D 511 |
Chain | Residue |
D | ASN265 |
D | THR266 |
D | ASP267 |
D | GLN268 |
site_id | AF8 |
Number of Residues | 1 |
Details | binding site for residue CL D 512 |
Chain | Residue |
D | HIS111 |
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 | GLY38-PRO48 |