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 | 0005654 | cellular_component | nucleoplasm |
A | 0005737 | cellular_component | cytoplasm |
A | 0005829 | cellular_component | cytosol |
A | 0006693 | biological_process | prostaglandin 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 | 0042803 | molecular_function | protein homodimerization activity |
A | 0043231 | cellular_component | intracellular membrane-bounded organelle |
A | 0046872 | molecular_function | metal ion binding |
A | 2000255 | biological_process | negative regulation of male germ cell proliferation |
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 | 0005654 | cellular_component | nucleoplasm |
B | 0005737 | cellular_component | cytoplasm |
B | 0005829 | cellular_component | cytosol |
B | 0006693 | biological_process | prostaglandin 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 | 0042803 | molecular_function | protein homodimerization activity |
B | 0043231 | cellular_component | intracellular membrane-bounded organelle |
B | 0046872 | molecular_function | metal ion binding |
B | 2000255 | biological_process | negative regulation of male germ cell proliferation |
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 | 0005654 | cellular_component | nucleoplasm |
C | 0005737 | cellular_component | cytoplasm |
C | 0005829 | cellular_component | cytosol |
C | 0006693 | biological_process | prostaglandin 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 | 0042803 | molecular_function | protein homodimerization activity |
C | 0043231 | cellular_component | intracellular membrane-bounded organelle |
C | 0046872 | molecular_function | metal ion binding |
C | 2000255 | biological_process | negative regulation of male germ cell proliferation |
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 | 0005654 | cellular_component | nucleoplasm |
D | 0005737 | cellular_component | cytoplasm |
D | 0005829 | cellular_component | cytosol |
D | 0006693 | biological_process | prostaglandin 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 | 0042803 | molecular_function | protein homodimerization activity |
D | 0043231 | cellular_component | intracellular membrane-bounded organelle |
D | 0046872 | molecular_function | metal ion binding |
D | 2000255 | biological_process | negative regulation of male germ cell proliferation |
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 | 20 |
Details | BINDING: BINDING => ECO:0000269|PubMed:12627223, ECO:0000269|PubMed:15113825, ECO:0000269|PubMed:16547010, ECO:0000269|PubMed:18341273, ECO:0000269|PubMed:19939518 |
Chain | Residue | Details |
A | PHE9 | |
B | SER264 | |
C | PHE409 | |
C | ALA415 | |
C | PRO440 | |
C | LYS450 | |
C | SER464 | |
D | PHE609 | |
D | ALA615 | |
D | PRO640 | |
D | LYS650 | |
A | ALA15 | |
D | SER664 | |
A | PRO40 | |
A | LYS50 | |
A | SER64 | |
B | PHE209 | |
B | ALA215 | |
B | PRO240 | |
B | LYS250 |
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 |