1F3B
CRYSTAL STRUCTURE OF MGSTA1-1 IN COMPLEX WITH GLUTATHIONE CONJUGATE OF BENZO[A]PYRENE EPOXIDE
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004364 | molecular_function | glutathione transferase activity |
| A | 0004601 | molecular_function | peroxidase activity |
| A | 0004769 | molecular_function | steroid Delta-isomerase activity |
| A | 0005739 | cellular_component | mitochondrion |
| A | 0005829 | cellular_component | cytosol |
| A | 0006629 | biological_process | lipid metabolic process |
| A | 0006693 | biological_process | prostaglandin metabolic process |
| A | 0006749 | biological_process | glutathione metabolic process |
| A | 0006805 | biological_process | xenobiotic metabolic process |
| A | 0009617 | biological_process | response to bacterium |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0016740 | molecular_function | transferase activity |
| A | 0016853 | molecular_function | isomerase activity |
| A | 0035634 | biological_process | response to stilbenoid |
| A | 0061771 | biological_process | response to caloric restriction |
| A | 0098869 | biological_process | cellular oxidant detoxification |
| A | 1901687 | biological_process | glutathione derivative biosynthetic process |
| B | 0004364 | molecular_function | glutathione transferase activity |
| B | 0004601 | molecular_function | peroxidase activity |
| B | 0004769 | molecular_function | steroid Delta-isomerase activity |
| B | 0005739 | cellular_component | mitochondrion |
| B | 0005829 | cellular_component | cytosol |
| B | 0006629 | biological_process | lipid metabolic process |
| B | 0006693 | biological_process | prostaglandin metabolic process |
| B | 0006749 | biological_process | glutathione metabolic process |
| B | 0006805 | biological_process | xenobiotic metabolic process |
| B | 0009617 | biological_process | response to bacterium |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0016740 | molecular_function | transferase activity |
| B | 0016853 | molecular_function | isomerase activity |
| B | 0035634 | biological_process | response to stilbenoid |
| B | 0061771 | biological_process | response to caloric restriction |
| B | 0098869 | biological_process | cellular oxidant detoxification |
| B | 1901687 | biological_process | glutathione derivative biosynthetic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 22 |
| Details | BINDING SITE FOR RESIDUE GBX A 223 |
| Chain | Residue |
| A | TYR8 |
| A | ALA215 |
| A | ARG216 |
| A | PHE219 |
| A | ILE221 |
| A | HOH405 |
| A | HOH442 |
| A | HOH546 |
| A | HOH685 |
| A | HOH776 |
| A | HOH814 |
| A | PHE9 |
| B | ASP100 |
| B | ARG130 |
| B | HOH331 |
| A | ARG14 |
| A | LYS44 |
| A | ASP52 |
| A | GLN53 |
| A | VAL54 |
| A | GLN66 |
| A | THR67 |
| site_id | AC2 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE GBX B 224 |
| Chain | Residue |
| A | ASP100 |
| A | ARG130 |
| A | HOH352 |
| B | TYR8 |
| B | PHE9 |
| B | ARG14 |
| B | LYS44 |
| B | GLN53 |
| B | VAL54 |
| B | PRO55 |
| B | GLN66 |
| B | THR67 |
| B | ALA215 |
| B | ARG216 |
| B | PHE219 |
| B | ILE221 |
| B | HOH338 |
| B | HOH389 |
| B | HOH432 |
| B | HOH538 |
| B | HOH681 |
| B | HOH784 |
| B | HOH812 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000305|PubMed:11027134 |
| Chain | Residue | Details |
| A | PHE9 | |
| B | PHE9 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 6 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:11027134 |
| Chain | Residue | Details |
| A | LYS45 | |
| A | VAL54 | |
| A | THR67 | |
| B | LYS45 | |
| B | VAL54 | |
| B | THR67 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | MOD_RES: N-acetylmethionine => ECO:0000250|UniProtKB:P80894 |
| Chain | Residue | Details |
| A | ALA1 | |
| B | ALA1 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | MOD_RES: N-acetylalanine; in Glutathione S-transferase A1, N-terminally processed => ECO:0000250|UniProtKB:P30115 |
| Chain | Residue | Details |
| A | GLY2 | |
| B | GLY2 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | MOD_RES: N6-succinyllysine => ECO:0000250|UniProtKB:P30115 |
| Chain | Residue | Details |
| A | PRO4 | |
| B | PRO4 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1oe8 |
| Chain | Residue | Details |
| A | TYR8 |
| site_id | CSA2 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1oe8 |
| Chain | Residue | Details |
| B | TYR8 |
