3SQP
Structure of human glutathione reductase complexed with pyocyanin, an agent with antimalarial activity
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0004362 | molecular_function | glutathione-disulfide reductase (NADPH) activity |
A | 0005737 | cellular_component | cytoplasm |
A | 0005739 | cellular_component | mitochondrion |
A | 0005759 | cellular_component | mitochondrial matrix |
A | 0005829 | cellular_component | cytosol |
A | 0006749 | biological_process | glutathione metabolic process |
A | 0009055 | molecular_function | electron transfer activity |
A | 0009897 | cellular_component | external side of plasma membrane |
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 | 0050661 | molecular_function | NADP binding |
A | 0070062 | cellular_component | extracellular exosome |
A | 0098869 | biological_process | cellular oxidant detoxification |
B | 0004362 | molecular_function | glutathione-disulfide reductase (NADPH) activity |
B | 0005737 | cellular_component | cytoplasm |
B | 0005739 | cellular_component | mitochondrion |
B | 0005759 | cellular_component | mitochondrial matrix |
B | 0005829 | cellular_component | cytosol |
B | 0006749 | biological_process | glutathione metabolic process |
B | 0009055 | molecular_function | electron transfer activity |
B | 0009897 | cellular_component | external side of plasma membrane |
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 | 0050661 | molecular_function | NADP binding |
B | 0070062 | cellular_component | extracellular exosome |
B | 0098869 | biological_process | cellular oxidant detoxification |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 41 |
Details | BINDING SITE FOR RESIDUE FAD A 500 |
Chain | Residue |
A | GLY27 |
A | THR57 |
A | CYS58 |
A | VAL61 |
A | GLY62 |
A | CYS63 |
A | LYS66 |
A | GLY128 |
A | HIS129 |
A | ALA130 |
A | ALA155 |
A | GLY29 |
A | THR156 |
A | GLY157 |
A | SER177 |
A | TYR197 |
A | ARG291 |
A | LEU298 |
A | GLY330 |
A | ASP331 |
A | LEU337 |
A | LEU338 |
A | SER30 |
A | THR339 |
A | PRO340 |
A | ALA342 |
A | HOH479 |
A | HOH484 |
A | HOH490 |
A | HOH504 |
A | HOH564 |
A | HOH593 |
A | HOH704 |
A | GLY31 |
B | HIS467 |
B | PRO468 |
A | GLU50 |
A | SER51 |
A | HIS52 |
A | LYS53 |
A | GLY56 |
site_id | AC2 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE SO4 A 604 |
Chain | Residue |
A | ARG218 |
A | HIS219 |
A | SO4605 |
A | HOH784 |
B | THR257 |
B | LEU258 |
site_id | AC3 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE SO4 A 605 |
Chain | Residue |
A | ALA195 |
A | HIS219 |
A | ARG224 |
A | HOH506 |
A | HOH602 |
A | SO4604 |
A | HOH708 |
site_id | AC4 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE 3J8 A 900 |
Chain | Residue |
A | VAL74 |
A | PHE78 |
B | VAL74 |
B | HIS75 |
B | PHE78 |
site_id | AC5 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE GOL A 2196 |
Chain | Residue |
A | PHE78 |
A | HIS374 |
A | ARG413 |
A | LEU438 |
A | HOH791 |
site_id | AC6 |
Number of Residues | 43 |
Details | BINDING SITE FOR RESIDUE FAD B 500 |
Chain | Residue |
B | HOH482 |
B | HOH491 |
B | HOH492 |
B | HOH502 |
B | HOH528 |
B | HOH642 |
B | HOH661 |
B | HOH791 |
A | HIS467 |
A | PRO468 |
B | GLY27 |
B | GLY29 |
B | SER30 |
B | GLY31 |
B | VAL49 |
B | GLU50 |
B | SER51 |
B | HIS52 |
B | LYS53 |
B | GLY56 |
B | THR57 |
B | CYS58 |
B | VAL61 |
B | GLY62 |
B | CYS63 |
B | LYS66 |
B | GLY128 |
B | HIS129 |
B | ALA130 |
B | ALA155 |
B | THR156 |
B | GLY157 |
B | SER177 |
B | TYR197 |
B | ARG291 |
B | LEU298 |
B | GLY330 |
B | ASP331 |
B | LEU337 |
B | LEU338 |
B | THR339 |
B | PRO340 |
B | ALA342 |
site_id | AC7 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE SO4 B 604 |
Chain | Residue |
A | THR257 |
A | LEU258 |
B | ARG218 |
B | HIS219 |
B | SO4605 |
B | HOH859 |
site_id | AC8 |
Number of Residues | 9 |
Details | BINDING SITE FOR RESIDUE SO4 B 605 |
Chain | Residue |
B | ALA195 |
B | ARG218 |
B | HIS219 |
B | ARG224 |
B | HOH486 |
B | HOH578 |
B | SO4604 |
B | HOH658 |
B | HOH679 |
site_id | AC9 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE 3J8 B 900 |
Chain | Residue |
A | VAL74 |
A | HIS75 |
A | PHE78 |
B | VAL74 |
B | PHE78 |
site_id | BC1 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE GOL B 2198 |
Chain | Residue |
B | PHE78 |
B | HIS374 |
B | ARG413 |
B | THR415 |
B | LEU438 |
B | HOH519 |
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 | GLY55-PRO65 |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 2 |
Details | ACT_SITE: Proton acceptor |
Chain | Residue | Details |
A | HIS467 | |
B | HIS467 |
site_id | SWS_FT_FI2 |
Number of Residues | 2 |
Details | BINDING: |
Chain | Residue | Details |
A | GLU50 | |
B | GLU50 |
site_id | SWS_FT_FI3 |
Number of Residues | 2 |
Details | MOD_RES: N6-acetyllysine => ECO:0000250|UniProtKB:P47791 |
Chain | Residue | Details |
A | LYS53 | |
B | LYS53 |
Catalytic Information from CSA
site_id | MCSA1 |
Number of Residues | 7 |
Details | M-CSA 6 |
Chain | Residue | Details |
A | CYS58 | electrofuge, electrophile, nucleofuge, nucleophile |
A | CYS63 | electrofuge, electrophile, hydrogen bond acceptor, hydrogen bond donor, nucleofuge, nucleophile, proton acceptor, proton donor |
A | LYS66 | activator, electrostatic stabiliser, hydrogen bond donor |
A | TYR197 | activator |
A | GLU201 | activator, electrostatic stabiliser, hydrogen bond acceptor |
A | HIS467 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
A | GLU472 | activator, electrostatic stabiliser, hydrogen bond acceptor |
site_id | MCSA2 |
Number of Residues | 7 |
Details | M-CSA 6 |
Chain | Residue | Details |
B | CYS58 | electrofuge, electrophile, nucleofuge, nucleophile |
B | CYS63 | electrofuge, electrophile, hydrogen bond acceptor, hydrogen bond donor, nucleofuge, nucleophile, proton acceptor, proton donor |
B | LYS66 | activator, electrostatic stabiliser, hydrogen bond donor |
B | TYR197 | activator |
B | GLU201 | activator, electrostatic stabiliser, hydrogen bond acceptor |
B | HIS467 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
B | GLU472 | activator, electrostatic stabiliser, hydrogen bond acceptor |