2CVD
Crystal structure analysis of human hematopoietic prostaglandin D synthase complexed with HQL-79
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 4001 |
| Chain | Residue |
| A | HOH4142 |
| A | HOH4143 |
| A | HOH4144 |
| D | HOH2989 |
| D | HOH2990 |
| D | HOH2991 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG B 4002 |
| Chain | Residue |
| C | HOH3179 |
| C | HOH3180 |
| C | HOH3181 |
| B | HOH4126 |
| B | HOH4127 |
| B | HOH4183 |
| site_id | AC3 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE GSH A 2001 |
| Chain | Residue |
| A | TYR8 |
| A | ARG14 |
| A | TRP39 |
| A | LYS43 |
| A | LYS50 |
| A | ILE51 |
| A | GLN63 |
| A | SER64 |
| A | HQL2201 |
| A | HOH4003 |
| A | HOH4009 |
| A | HOH4045 |
| A | HOH4048 |
| A | HOH4130 |
| D | ASP97 |
| site_id | AC4 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE GSH B 2002 |
| Chain | Residue |
| B | TYR8 |
| B | ARG14 |
| B | TRP39 |
| B | LYS43 |
| B | LYS50 |
| B | ILE51 |
| B | GLN63 |
| B | SER64 |
| B | HOH4012 |
| B | HOH4016 |
| B | HOH4031 |
| B | HOH4069 |
| B | HOH4097 |
| B | HOH4103 |
| C | ASP97 |
| site_id | AC5 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE GSH C 2003 |
| Chain | Residue |
| B | ASP97 |
| C | TYR8 |
| C | ARG14 |
| C | TRP39 |
| C | LYS43 |
| C | LYS50 |
| C | ILE51 |
| C | GLN63 |
| C | SER64 |
| C | HOH3005 |
| C | HOH3020 |
| C | HOH3088 |
| C | HOH3153 |
| C | HOH3263 |
| C | HOH3318 |
| site_id | AC6 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE GSH D 2004 |
| Chain | Residue |
| A | ASP97 |
| D | TYR8 |
| D | ARG14 |
| D | TRP39 |
| D | LYS43 |
| D | LYS50 |
| D | ILE51 |
| D | GLN63 |
| D | SER64 |
| D | HOH2804 |
| D | HOH2821 |
| D | HOH2868 |
| D | HOH2948 |
| D | HOH2957 |
| site_id | AC7 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE HQL A 2201 |
| Chain | Residue |
| A | TYR8 |
| A | MET11 |
| A | GLY13 |
| A | MET99 |
| A | PHE102 |
| A | TRP104 |
| A | TYR152 |
| A | THR159 |
| A | GSH2001 |
| A | HOH4246 |
| site_id | AC8 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE HQL B 2401 |
| Chain | Residue |
| A | HOH4327 |
| B | TYR8 |
| B | MET11 |
| B | GLY13 |
| B | MET99 |
| B | PHE102 |
| B | TRP104 |
| B | TYR152 |
| B | THR159 |
| B | LEU199 |
| B | HOH4217 |
| site_id | AC9 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE HQL C 2601 |
| Chain | Residue |
| C | TYR152 |
| C | THR159 |
| C | HOH3238 |
| C | HOH3317 |
| C | TYR8 |
| C | MET11 |
| C | GLY13 |
| C | ARG14 |
| C | MET99 |
| C | PHE102 |
| C | TRP104 |
| site_id | BC1 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE HQL D 2801 |
| Chain | Residue |
| D | MET11 |
| D | GLY13 |
| D | ARG14 |
| D | MET99 |
| D | PHE102 |
| D | TRP104 |
| D | TYR152 |
| D | THR159 |
| D | HOH3095 |
| site_id | BC2 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE GOL C 3001 |
| Chain | Residue |
| C | GLN28 |
| C | TYR29 |
| C | GOL3002 |
| C | HOH3084 |
| C | HOH3188 |
| C | HOH3280 |
| D | ARG12 |
| D | THR197 |
| D | HOH2824 |
| D | HOH2827 |
| D | HOH2918 |
| site_id | BC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL C 3002 |
| Chain | Residue |
| C | GLN28 |
| C | TYR29 |
| C | TRP190 |
| C | GOL3001 |
| C | HOH3041 |
| C | HOH3174 |
| D | LYS198 |
| site_id | BC4 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL C 3003 |
| Chain | Residue |
| C | ARG12 |
| C | THR197 |
| C | GOL3004 |
| C | HOH3033 |
| C | HOH3043 |
| C | HOH3070 |
| D | GLN28 |
| D | TYR29 |
| D | HOH3053 |
| site_id | BC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL C 3004 |
| Chain | Residue |
| C | LYS198 |
| C | GOL3003 |
| C | HOH3234 |
| D | GLN28 |
| D | TYR29 |
| D | HOH2839 |
| D | HOH3000 |
| site_id | BC6 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL B 3005 |
| Chain | Residue |
| B | GLN28 |
| B | TYR29 |
| B | TRP190 |
| B | ARG193 |
| B | HOH4067 |
| B | HOH4078 |
| B | HOH4187 |
| site_id | BC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL A 3006 |
| Chain | Residue |
| A | GLU84 |
| A | HIS87 |
| A | ILE142 |
| A | GLY143 |
| A | HOH4075 |
| D | TYR122 |
| site_id | BC8 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL B 3007 |
| Chain | Residue |
| B | ASP130 |
| B | HOH4100 |
| C | LYS43 |
| C | SER44 |
| C | LEU46 |
| C | HOH3271 |
| C | HOH3272 |
| C | HOH3347 |
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 | SER64 | |
| C | PHE9 | |
| C | ALA15 | |
| C | PRO40 | |
| C | LYS50 | |
| C | SER64 | |
| D | PHE9 | |
| D | ALA15 | |
| D | PRO40 | |
| D | LYS50 | |
| A | ALA15 | |
| D | SER64 | |
| A | PRO40 | |
| A | LYS50 | |
| A | SER64 | |
| B | PHE9 | |
| B | ALA15 | |
| B | PRO40 | |
| B | LYS50 |
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 |
| site_id | CSA3 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1oe8 |
| Chain | Residue | Details |
| C | TYR8 |
| site_id | CSA4 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1oe8 |
| Chain | Residue | Details |
| D | TYR8 |
