3KXO
An orally active inhibitor bound at the active site of HPGDS
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000287 | molecular_function | magnesium ion binding |
| A | 0001516 | biological_process | prostaglandin biosynthetic process |
| A | 0004364 | molecular_function | glutathione transferase activity |
| A | 0004667 | molecular_function | prostaglandin-D synthase activity |
| A | 0005509 | molecular_function | calcium ion 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 | 0006631 | biological_process | fatty acid metabolic process |
| A | 0006633 | biological_process | fatty acid biosynthetic process |
| A | 0006693 | biological_process | prostaglandin metabolic process |
| A | 0006749 | biological_process | glutathione metabolic process |
| A | 0007165 | biological_process | signal transduction |
| A | 0007626 | biological_process | locomotory behavior |
| A | 0016740 | molecular_function | transferase activity |
| A | 0016853 | molecular_function | isomerase activity |
| A | 0019371 | biological_process | cyclooxygenase pathway |
| A | 0042803 | molecular_function | protein homodimerization activity |
| A | 0046872 | molecular_function | metal ion binding |
| B | 0000287 | molecular_function | magnesium ion binding |
| B | 0001516 | biological_process | prostaglandin biosynthetic process |
| B | 0004364 | molecular_function | glutathione transferase activity |
| B | 0004667 | molecular_function | prostaglandin-D synthase activity |
| B | 0005509 | molecular_function | calcium ion 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 | 0006631 | biological_process | fatty acid metabolic process |
| B | 0006633 | biological_process | fatty acid biosynthetic process |
| B | 0006693 | biological_process | prostaglandin metabolic process |
| B | 0006749 | biological_process | glutathione metabolic process |
| B | 0007165 | biological_process | signal transduction |
| B | 0007626 | biological_process | locomotory behavior |
| B | 0016740 | molecular_function | transferase activity |
| B | 0016853 | molecular_function | isomerase activity |
| B | 0019371 | biological_process | cyclooxygenase pathway |
| B | 0042803 | molecular_function | protein homodimerization activity |
| B | 0046872 | molecular_function | metal ion binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE GSH A 201 |
| Chain | Residue |
| A | TYR8 |
| A | HOH3001 |
| A | HOH3117 |
| A | HOH3125 |
| A | HOH3137 |
| B | ASP97 |
| A | ARG14 |
| A | TRP39 |
| A | LYS43 |
| A | LYS50 |
| A | ILE51 |
| A | GLN63 |
| A | SER64 |
| A | KXO202 |
| site_id | AC2 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE KXO A 202 |
| Chain | Residue |
| A | PHE9 |
| A | MET11 |
| A | GLY13 |
| A | ARG14 |
| A | GLN36 |
| A | TRP39 |
| A | MET99 |
| A | TRP104 |
| A | TYR152 |
| A | CYS156 |
| A | LEU199 |
| A | GSH201 |
| A | HOH3111 |
| A | HOH3113 |
| A | HOH3137 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG B 201 |
| Chain | Residue |
| A | HOH3097 |
| A | HOH3104 |
| A | HOH3112 |
| B | HOH3068 |
| B | HOH3079 |
| B | HOH3116 |
| site_id | AC4 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE GSH B 202 |
| Chain | Residue |
| A | ASP97 |
| B | TYR8 |
| B | ARG14 |
| B | TRP39 |
| B | LYS43 |
| B | LYS50 |
| B | ILE51 |
| B | GLN63 |
| B | SER64 |
| B | KXO203 |
| B | HOH3010 |
| B | HOH3050 |
| B | HOH3124 |
| B | HOH3126 |
| site_id | AC5 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE KXO B 203 |
| Chain | Residue |
| B | PHE9 |
| B | MET11 |
| B | ARG14 |
| B | GLN36 |
| B | MET99 |
| B | TRP104 |
| B | TYR152 |
| B | LEU199 |
| B | GSH202 |
| B | HOH3028 |
| B | HOH3121 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 154 |
| Details | Domain: {"description":"GST N-terminal"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 236 |
| Details | Domain: {"description":"GST C-terminal"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 12 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"12627223","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15113825","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16547010","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18341273","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19939518","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
