1PKW
Crystal structure of human glutathione transferase (GST) A1-1 in complex with glutathione
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004364 | molecular_function | glutathione transferase activity |
| A | 0004601 | molecular_function | peroxidase activity |
| A | 0004602 | molecular_function | glutathione peroxidase activity |
| A | 0004769 | molecular_function | steroid delta-isomerase activity |
| A | 0005504 | molecular_function | fatty acid binding |
| A | 0005515 | molecular_function | protein binding |
| A | 0005737 | cellular_component | cytoplasm |
| 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 | 0016740 | molecular_function | transferase activity |
| A | 0016853 | molecular_function | isomerase activity |
| A | 0030855 | biological_process | epithelial cell differentiation |
| A | 0043651 | biological_process | linoleic acid metabolic process |
| A | 0070062 | cellular_component | extracellular exosome |
| 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 | 0004602 | molecular_function | glutathione peroxidase activity |
| B | 0004769 | molecular_function | steroid delta-isomerase activity |
| B | 0005504 | molecular_function | fatty acid binding |
| B | 0005515 | molecular_function | protein binding |
| B | 0005737 | cellular_component | cytoplasm |
| 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 | 0016740 | molecular_function | transferase activity |
| B | 0016853 | molecular_function | isomerase activity |
| B | 0030855 | biological_process | epithelial cell differentiation |
| B | 0043651 | biological_process | linoleic acid metabolic process |
| B | 0070062 | cellular_component | extracellular exosome |
| 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 | 13 |
| Details | BINDING SITE FOR RESIDUE GSH A 654 |
| Chain | Residue |
| A | TYR9 |
| A | HOH876 |
| B | ASP101 |
| B | ARG131 |
| B | HOH754 |
| A | ARG45 |
| A | GLN54 |
| A | VAL55 |
| A | GLN67 |
| A | THR68 |
| A | HOH685 |
| A | HOH719 |
| A | HOH850 |
| site_id | AC2 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE GSH B 655 |
| Chain | Residue |
| A | ASP101 |
| A | ARG131 |
| A | HOH680 |
| B | TYR9 |
| B | ARG45 |
| B | GLN54 |
| B | VAL55 |
| B | GLN67 |
| B | THR68 |
| B | PHE220 |
| B | HOH681 |
| B | HOH737 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE HED A 657 |
| Chain | Residue |
| A | SER18 |
| A | LEU72 |
| A | ILE96 |
| A | ALA100 |
| A | HOH815 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE HED B 659 |
| Chain | Residue |
| B | SER18 |
| B | ILE96 |
| B | ALA100 |
| B | ARG155 |
| B | HOH787 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 8 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:16421451, ECO:0000269|PubMed:19618965 |
| Chain | Residue | Details |
| A | TYR9 | |
| A | ARG45 | |
| A | GLN54 | |
| A | GLN67 | |
| B | TYR9 | |
| B | ARG45 | |
| B | GLN54 | |
| B | GLN67 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | MOD_RES: N-acetylmethionine => ECO:0000250|UniProtKB:P80894 |
| Chain | Residue | Details |
| A | MET1 | |
| B | MET1 |
| site_id | SWS_FT_FI3 |
| 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 | ALA2 | |
| B | ALA2 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | MOD_RES: N6-succinyllysine => ECO:0000250|UniProtKB:P30115 |
| Chain | Residue | Details |
| A | LYS4 | |
| B | LYS4 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1oe8 |
| Chain | Residue | Details |
| A | TYR9 |
| site_id | CSA2 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1oe8 |
| Chain | Residue | Details |
| B | TYR9 |
| site_id | MCSA1 |
| Number of Residues | 2 |
| Details | M-CSA 993 |
| Chain | Residue | Details |
| A | TYR9 | hydrogen bond donor, modifies pKa |
| A | ARG15 | electrostatic stabiliser |
