3DK4
Catalytic cycle of human glutathione reductase near 1 A resolution
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 |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 A 582 |
| Chain | Residue |
| A | ARG218 |
| A | HIS219 |
| A | THR257 |
| A | LEU258 |
| A | HOH1321 |
| A | HOH1360 |
| A | HOH1640 |
| site_id | AC2 |
| Number of Residues | 39 |
| Details | BINDING SITE FOR RESIDUE FAD A 479 |
| Chain | Residue |
| A | SER30 |
| A | GLY31 |
| A | GLU50 |
| A | SER51 |
| A | LYS53 |
| A | GLY56 |
| A | THR57 |
| A | CYS58 |
| A | GLY62 |
| A | CYS63 |
| A | LYS66 |
| A | GLY128 |
| A | HIS129 |
| A | ALA130 |
| A | ALA155 |
| A | THR156 |
| A | GLY157 |
| A | TYR197 |
| A | ARG291 |
| A | ASN294 |
| A | LEU298 |
| A | GLY330 |
| A | ASP331 |
| A | LEU337 |
| A | LEU338 |
| A | THR339 |
| A | PRO340 |
| A | HIS467 |
| A | PRO468 |
| A | HOH1001 |
| A | HOH1002 |
| A | HOH1007 |
| A | HOH1024 |
| A | HOH1063 |
| A | HOH1084 |
| A | HOH1269 |
| A | HOH1425 |
| A | GLY27 |
| A | GLY29 |
| site_id | AC3 |
| Number of Residues | 48 |
| Details | BINDING SITE FOR RESIDUE NDP A 480 |
| Chain | Residue |
| A | GLY194 |
| A | ALA195 |
| A | GLY196 |
| A | TYR197 |
| A | ILE198 |
| A | ARG218 |
| A | HIS219 |
| A | ARG224 |
| A | SER225 |
| A | PHE226 |
| A | ALA288 |
| A | ILE289 |
| A | GLY290 |
| A | ALA336 |
| A | LEU337 |
| A | LEU338 |
| A | HOH1023 |
| A | HOH1027 |
| A | HOH1041 |
| A | HOH1081 |
| A | HOH1097 |
| A | HOH1105 |
| A | HOH1113 |
| A | HOH1119 |
| A | HOH1133 |
| A | HOH1163 |
| A | HOH1194 |
| A | HOH1220 |
| A | HOH1222 |
| A | HOH1300 |
| A | HOH1382 |
| A | HOH1437 |
| A | HOH1454 |
| A | HOH1566 |
| A | HOH1568 |
| A | HOH1621 |
| A | HOH1649 |
| A | HOH1658 |
| A | HOH1674 |
| A | HOH2125 |
| A | HOH2182 |
| A | HOH2212 |
| A | HOH2505 |
| A | HOH2513 |
| A | HOH3018 |
| A | HOH3104 |
| A | HOH3201 |
| A | HOH3210 |
| site_id | AC4 |
| Number of Residues | 20 |
| Details | BINDING SITE FOR RESIDUE GSH A 481 |
| Chain | Residue |
| A | THR339 |
| A | ILE343 |
| A | ARG347 |
| A | HIS467 |
| A | THR476 |
| A | HOH1058 |
| A | HOH1149 |
| A | HOH1191 |
| A | HOH1192 |
| A | HOH1303 |
| A | HOH1443 |
| A | HOH1655 |
| A | HOH1744 |
| A | HOH3002 |
| A | HOH9007 |
| A | SER30 |
| A | ALA34 |
| A | ARG37 |
| A | CYS58 |
| A | TYR114 |
| site_id | AC5 |
| Number of Residues | 17 |
| Details | BINDING SITE FOR RESIDUE GSH A 482 |
| Chain | Residue |
| A | ILE113 |
| A | TYR114 |
| A | PRO405 |
| A | MET406 |
| A | HIS467 |
| A | THR469 |
| A | GLU472 |
| A | GLU473 |
| A | HOH1019 |
| A | HOH1060 |
| A | HOH1061 |
| A | HOH1204 |
| A | HOH1327 |
| A | HOH1597 |
| A | HOH1655 |
| A | HOH1659 |
| A | HOH1765 |
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 | 1 |
| Details | ACT_SITE: Proton acceptor |
| Chain | Residue | Details |
| A | HIS467 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 1 |
| Details | BINDING: |
| Chain | Residue | Details |
| A | GLU50 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 1 |
| Details | MOD_RES: N6-acetyllysine => ECO:0000250|UniProtKB:P47791 |
| Chain | Residue | Details |
| A | LYS53 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1get |
| Chain | Residue | Details |
| A | CYS58 | |
| A | CYS63 |
| site_id | CSA2 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1get |
| Chain | Residue | Details |
| A | HIS467 | |
| A | GLU472 |
| 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 |
