1V40
First Inhibitor Complex Structure of Human Hematopoietic Prostaglandin D Synthase
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 |
| C | 0000287 | molecular_function | magnesium ion binding |
| C | 0001516 | biological_process | prostaglandin biosynthetic process |
| C | 0004364 | molecular_function | glutathione transferase activity |
| C | 0004667 | molecular_function | prostaglandin-D synthase activity |
| C | 0005509 | molecular_function | calcium ion binding |
| C | 0005515 | molecular_function | protein binding |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0005829 | cellular_component | cytosol |
| C | 0006629 | biological_process | lipid metabolic process |
| C | 0006631 | biological_process | fatty acid metabolic process |
| C | 0006633 | biological_process | fatty acid biosynthetic process |
| C | 0006693 | biological_process | prostaglandin metabolic process |
| C | 0006749 | biological_process | glutathione metabolic process |
| C | 0007165 | biological_process | signal transduction |
| C | 0007626 | biological_process | locomotory behavior |
| C | 0016740 | molecular_function | transferase activity |
| C | 0016853 | molecular_function | isomerase activity |
| C | 0019371 | biological_process | cyclooxygenase pathway |
| C | 0042803 | molecular_function | protein homodimerization activity |
| C | 0046872 | molecular_function | metal ion binding |
| D | 0000287 | molecular_function | magnesium ion binding |
| D | 0001516 | biological_process | prostaglandin biosynthetic process |
| D | 0004364 | molecular_function | glutathione transferase activity |
| D | 0004667 | molecular_function | prostaglandin-D synthase activity |
| D | 0005509 | molecular_function | calcium ion binding |
| D | 0005515 | molecular_function | protein binding |
| D | 0005737 | cellular_component | cytoplasm |
| D | 0005829 | cellular_component | cytosol |
| D | 0006629 | biological_process | lipid metabolic process |
| D | 0006631 | biological_process | fatty acid metabolic process |
| D | 0006633 | biological_process | fatty acid biosynthetic process |
| D | 0006693 | biological_process | prostaglandin metabolic process |
| D | 0006749 | biological_process | glutathione metabolic process |
| D | 0007165 | biological_process | signal transduction |
| D | 0007626 | biological_process | locomotory behavior |
| D | 0016740 | molecular_function | transferase activity |
| D | 0016853 | molecular_function | isomerase activity |
| D | 0019371 | biological_process | cyclooxygenase pathway |
| D | 0042803 | molecular_function | protein homodimerization activity |
| D | 0046872 | molecular_function | metal ion binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG A 3900 |
| Chain | Residue |
| A | HOH4129 |
| A | HOH4174 |
| A | HOH4290 |
| D | HOH3999 |
| D | HOH4095 |
| D | HOH4096 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG B 3901 |
| Chain | Residue |
| C | HOH3625 |
| C | HOH3663 |
| C | HOH3812 |
| B | HOH4013 |
| B | HOH4141 |
| B | HOH4142 |
| site_id | AC3 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE GSH A 3200 |
| Chain | Residue |
| A | TYR8 |
| A | ARG14 |
| A | TRP39 |
| A | LYS43 |
| A | LYS50 |
| A | ILE51 |
| A | GLN63 |
| A | SER64 |
| A | O163201 |
| A | HOH3953 |
| A | HOH3959 |
| A | HOH4117 |
| A | HOH4289 |
| D | ASP697 |
| site_id | AC4 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE GSH B 3400 |
| Chain | Residue |
| B | TYR208 |
| B | ARG214 |
| B | TRP239 |
| B | LYS243 |
| B | LYS250 |
| B | ILE251 |
| B | GLN263 |
| B | SER264 |
| B | O163401 |
| B | HOH3950 |
| B | HOH4010 |
| B | HOH4155 |
| C | ASP497 |
| site_id | AC5 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE GSH C 3600 |
| Chain | Residue |
| B | ASP297 |
| C | TYR408 |
| C | ARG414 |
| C | TRP439 |
| C | LYS443 |
| C | LYS450 |
| C | ILE451 |
| C | GLN463 |
| C | SER464 |
| C | O163601 |
| C | HOH3623 |
| C | HOH3664 |
| C | HOH3665 |
| C | HOH3852 |
| site_id | AC6 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE GSH D 3800 |
| Chain | Residue |
| A | ASP97 |
| D | TYR608 |
| D | ARG614 |
| D | TRP639 |
| D | LYS643 |
| D | LYS650 |
| D | ILE651 |
| D | GLN663 |
| D | SER664 |
| D | HOH3822 |
| D | HOH3867 |
| D | HOH3872 |
| D | HOH4058 |
| site_id | AC7 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE O16 A 3201 |
| Chain | Residue |
| A | PHE9 |
| A | ARG14 |
| A | MET99 |
| A | TRP104 |
| A | ALA105 |
| A | TYR152 |
| A | CYS156 |
| A | LEU199 |
| A | GSH3200 |
| site_id | AC8 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE O16 B 3401 |
| Chain | Residue |
| B | PHE209 |
| B | GLY213 |
| B | MET299 |
| B | TRP304 |
| B | ALA305 |
| B | TYR352 |
| B | CYS356 |
| B | GSH3400 |
| B | HOH3917 |
| site_id | AC9 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE O16 C 3601 |
| Chain | Residue |
| C | PHE409 |
| C | GLY413 |
| C | ARG414 |
| C | ASP496 |
| C | MET499 |
| C | TRP504 |
| C | ALA505 |
| C | TYR552 |
| C | CYS556 |
| C | LEU599 |
| C | GSH3600 |
| site_id | BC1 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE O16 D 3801 |
| Chain | Residue |
| D | MET699 |
| D | TRP704 |
| D | ALA705 |
| D | TYR752 |
| D | LEU799 |
| D | HOH4090 |
| A | HOH4258 |
| D | GLY613 |
| D | ARG614 |
| D | ASP696 |
| site_id | BC2 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE GOL A 3001 |
| Chain | Residue |
| A | LYS43 |
| A | PHE48 |
| A | GLY49 |
| A | HOH3991 |
| A | HOH4119 |
| A | HOH4126 |
| A | HOH4287 |
| D | HIS726 |
| D | ASP730 |
| D | HOH3804 |
| site_id | BC3 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE GOL A 3002 |
| Chain | Residue |
| A | GLU84 |
| A | TYR134 |
| A | ARG138 |
| A | LEU141 |
| A | ILE142 |
| A | GLY143 |
| A | HOH4029 |
| A | HOH4142 |
| A | HOH4260 |
| A | HOH4311 |
| D | TYR722 |
| site_id | BC4 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE GOL C 3003 |
| Chain | Residue |
| C | GLN428 |
| C | TYR429 |
| D | GLN796 |
| D | THR797 |
| D | LYS798 |
| D | HOH3904 |
| D | HOH3905 |
| D | HOH3991 |
| D | HOH3992 |
| D | HOH3993 |
| site_id | BC5 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL C 3004 |
| Chain | Residue |
| C | THR597 |
| C | HOH3735 |
| C | HOH3737 |
| C | HOH3741 |
| C | HOH3744 |
| C | HOH3745 |
| D | GLN628 |
| D | TYR629 |
| D | GOL3005 |
| site_id | BC6 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL D 3005 |
| Chain | Residue |
| C | LYS598 |
| C | GOL3004 |
| D | GLN628 |
| D | TYR629 |
| D | TRP790 |
| D | HOH3891 |
| D | HOH3892 |
| site_id | BC7 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE GOL B 3006 |
| Chain | Residue |
| B | GLN228 |
| B | TYR229 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 308 |
| Details | Domain: {"description":"GST N-terminal"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 472 |
| Details | Domain: {"description":"GST C-terminal"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 24 |
| 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 |
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 | TYR208 |
| site_id | CSA3 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1oe8 |
| Chain | Residue | Details |
| C | TYR408 |
| site_id | CSA4 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1oe8 |
| Chain | Residue | Details |
| D | TYR608 |
