3DJJ
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 | 9 |
| Details | BINDING SITE FOR RESIDUE PO4 A 481 |
| Chain | Residue |
| A | ARG37 |
| A | ARG347 |
| A | HOH1022 |
| A | HOH1158 |
| A | HOH1190 |
| A | HOH1191 |
| A | HOH1287 |
| A | HOH1434 |
| A | HOH2795 |
| site_id | AC2 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE PO4 A 482 |
| Chain | Residue |
| A | ARG218 |
| A | HIS219 |
| A | THR257 |
| A | LEU258 |
| A | SER259 |
| A | HOH1321 |
| A | HOH1360 |
| A | HOH1407 |
| A | HOH1640 |
| A | HOH1767 |
| site_id | AC3 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE PO4 A 485 |
| Chain | Residue |
| A | ARG38 |
| A | ARG347 |
| A | HOH1235 |
| A | HOH1260 |
| A | HOH1344 |
| A | HOH1433 |
| A | HOH1574 |
| A | HOH2378 |
| site_id | AC4 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE PO4 A 486 |
| Chain | Residue |
| A | THR176 |
| A | ASP178 |
| A | GLY179 |
| A | HOH1406 |
| A | HOH1622 |
| A | HOH1668 |
| A | HOH1736 |
| A | HOH3186 |
| site_id | AC5 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE PO4 A 487 |
| Chain | Residue |
| A | LYS53 |
| A | LEU54 |
| A | ASN111 |
| A | GLN115 |
| A | ARG127 |
| A | HOH1301 |
| A | HOH1506 |
| A | HOH1611 |
| A | HOH3605 |
| site_id | AC6 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 A 3584 |
| Chain | Residue |
| A | LYS120 |
| A | HOH1118 |
| site_id | AC7 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 A 3585 |
| Chain | Residue |
| A | HOH1258 |
| A | HOH3507 |
| A | HOH3788 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 A 3586 |
| Chain | Residue |
| A | THR404 |
| A | THR415 |
| A | HOH1595 |
| A | HOH1779 |
| site_id | AC9 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 A 3587 |
| Chain | Residue |
| A | ASP385 |
| A | HOH3760 |
| site_id | BC1 |
| Number of Residues | 38 |
| Details | BINDING SITE FOR RESIDUE FAD A 479 |
| Chain | Residue |
| A | GLY27 |
| A | GLY29 |
| A | SER30 |
| A | GLY31 |
| A | GLU50 |
| A | SER51 |
| 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 | ARG291 |
| A | ASN294 |
| A | LEU298 |
| A | GLY330 |
| A | ASP331 |
| A | LEU337 |
| A | LEU338 |
| A | THR339 |
| A | PRO340 |
| A | PHE372 |
| A | HIS467 |
| A | PRO468 |
| A | HOH1001 |
| A | HOH1002 |
| A | HOH1007 |
| A | HOH1024 |
| A | HOH1063 |
| A | HOH1084 |
| A | HOH1269 |
| A | HOH1425 |
| site_id | BC2 |
| Number of Residues | 32 |
| Details | BINDING SITE FOR RESIDUE NDP A 480 |
| Chain | Residue |
| A | ARG224 |
| A | ILE289 |
| A | GLY290 |
| A | ARG291 |
| A | LEU337 |
| A | LEU338 |
| A | HOH1023 |
| A | HOH1027 |
| A | HOH1034 |
| A | HOH1066 |
| A | HOH1097 |
| A | HOH1113 |
| A | HOH1119 |
| A | HOH1243 |
| A | HOH1257 |
| A | HOH1300 |
| A | HOH1566 |
| A | HOH1568 |
| A | HOH1580 |
| A | HOH1614 |
| A | HOH1674 |
| A | HOH2125 |
| A | HOH2505 |
| A | HOH2513 |
| A | HOH3177 |
| A | HOH3201 |
| A | ALA195 |
| A | GLY196 |
| A | TYR197 |
| A | ILE198 |
| A | GLU201 |
| A | ARG218 |
| site_id | BC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL A 601 |
| Chain | Residue |
| A | TYR197 |
| A | ALA336 |
| A | HOH1105 |
| A | HOH1219 |
| A | HOH1300 |
| A | HOH1382 |
| A | HOH1538 |
| site_id | BC4 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL A 602 |
| Chain | Residue |
| A | SER228 |
| A | MET229 |
| A | LYS420 |
| A | HOH1298 |
| A | HOH1533 |
| A | HOH1756 |
| A | HOH1828 |
| A | HOH3521 |
| site_id | BC5 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL A 603 |
| Chain | Residue |
| A | LYS324 |
| A | GLY325 |
| A | TYR327 |
| A | ARG352 |
| A | HOH1069 |
| A | HOH1203 |
| A | HOH1285 |
| A | HOH1384 |
| A | HOH1445 |
| site_id | BC6 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL A 604 |
| Chain | Residue |
| A | TYR364 |
| A | ASN365 |
| A | ASN366 |
| A | ILE367 |
| A | GLY381 |
| A | HOH1538 |
| A | HOH1695 |
| A | HOH3008 |
| site_id | BC7 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL A 605 |
| Chain | Residue |
| A | GLU101 |
| A | LYS102 |
| A | ALA105 |
| A | HIS122 |
| A | HOH1068 |
| A | HOH1152 |
| A | HOH1798 |
| site_id | BC8 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL A 606 |
| Chain | Residue |
| A | MET265 |
| A | THR267 |
| A | THR277 |
| A | ASP309 |
| A | HOH1102 |
| A | HOH1383 |
| A | HOH1423 |
| A | HOH1571 |
| A | HOH2683 |
| site_id | BC9 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL A 607 |
| Chain | Residue |
| A | ASN111 |
| A | ALA112 |
| A | GLN115 |
| A | GLU355 |
| A | HOH1316 |
| A | HOH1506 |
| A | HOH9004 |
| site_id | CC1 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE GOL A 608 |
| Chain | Residue |
| A | SER225 |
| A | PHE226 |
| A | THR379 |
| A | HOH1041 |
| A | HOH1108 |
| A | HOH1159 |
| A | HOH1760 |
| A | HOH2763 |
| A | HOH3005 |
| A | HOH3008 |
| A | HOH3134 |
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 |
