1O02
Human mitochondrial aldehyde dehydrogenase complexed with NADH in the presence of Mg2+
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004029 | molecular_function | aldehyde dehydrogenase (NAD+) activity |
| A | 0004030 | molecular_function | aldehyde dehydrogenase [NAD(P)+] activity |
| A | 0005739 | cellular_component | mitochondrion |
| A | 0005759 | cellular_component | mitochondrial matrix |
| A | 0005975 | biological_process | carbohydrate metabolic process |
| A | 0006066 | biological_process | alcohol metabolic process |
| A | 0006067 | biological_process | ethanol metabolic process |
| A | 0006068 | biological_process | ethanol catabolic process |
| A | 0008957 | molecular_function | phenylacetaldehyde dehydrogenase (NAD+) activity |
| A | 0009055 | molecular_function | electron transfer activity |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
| A | 0018937 | biological_process | nitroglycerin metabolic process |
| A | 0046185 | biological_process | aldehyde catabolic process |
| A | 0051287 | molecular_function | NAD binding |
| A | 0070062 | cellular_component | extracellular exosome |
| A | 0106435 | molecular_function | carboxylesterase activity |
| A | 0110095 | biological_process | cellular detoxification of aldehyde |
| A | 1903179 | biological_process | regulation of dopamine biosynthetic process |
| A | 1905627 | biological_process | regulation of serotonin biosynthetic process |
| B | 0004029 | molecular_function | aldehyde dehydrogenase (NAD+) activity |
| B | 0004030 | molecular_function | aldehyde dehydrogenase [NAD(P)+] activity |
| B | 0005739 | cellular_component | mitochondrion |
| B | 0005759 | cellular_component | mitochondrial matrix |
| B | 0005975 | biological_process | carbohydrate metabolic process |
| B | 0006066 | biological_process | alcohol metabolic process |
| B | 0006067 | biological_process | ethanol metabolic process |
| B | 0006068 | biological_process | ethanol catabolic process |
| B | 0008957 | molecular_function | phenylacetaldehyde dehydrogenase (NAD+) activity |
| B | 0009055 | molecular_function | electron transfer activity |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
| B | 0018937 | biological_process | nitroglycerin metabolic process |
| B | 0046185 | biological_process | aldehyde catabolic process |
| B | 0051287 | molecular_function | NAD binding |
| B | 0070062 | cellular_component | extracellular exosome |
| B | 0106435 | molecular_function | carboxylesterase activity |
| B | 0110095 | biological_process | cellular detoxification of aldehyde |
| B | 1903179 | biological_process | regulation of dopamine biosynthetic process |
| B | 1905627 | biological_process | regulation of serotonin biosynthetic process |
| C | 0004029 | molecular_function | aldehyde dehydrogenase (NAD+) activity |
| C | 0004030 | molecular_function | aldehyde dehydrogenase [NAD(P)+] activity |
| C | 0005739 | cellular_component | mitochondrion |
| C | 0005759 | cellular_component | mitochondrial matrix |
| C | 0005975 | biological_process | carbohydrate metabolic process |
| C | 0006066 | biological_process | alcohol metabolic process |
| C | 0006067 | biological_process | ethanol metabolic process |
| C | 0006068 | biological_process | ethanol catabolic process |
| C | 0008957 | molecular_function | phenylacetaldehyde dehydrogenase (NAD+) activity |
| C | 0009055 | molecular_function | electron transfer activity |
| C | 0016491 | molecular_function | oxidoreductase activity |
| C | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
| C | 0018937 | biological_process | nitroglycerin metabolic process |
| C | 0046185 | biological_process | aldehyde catabolic process |
| C | 0051287 | molecular_function | NAD binding |
| C | 0070062 | cellular_component | extracellular exosome |
| C | 0106435 | molecular_function | carboxylesterase activity |
| C | 0110095 | biological_process | cellular detoxification of aldehyde |
| C | 1903179 | biological_process | regulation of dopamine biosynthetic process |
| C | 1905627 | biological_process | regulation of serotonin biosynthetic process |
| D | 0004029 | molecular_function | aldehyde dehydrogenase (NAD+) activity |
| D | 0004030 | molecular_function | aldehyde dehydrogenase [NAD(P)+] activity |
| D | 0005739 | cellular_component | mitochondrion |
| D | 0005759 | cellular_component | mitochondrial matrix |
| D | 0005975 | biological_process | carbohydrate metabolic process |
| D | 0006066 | biological_process | alcohol metabolic process |
| D | 0006067 | biological_process | ethanol metabolic process |
| D | 0006068 | biological_process | ethanol catabolic process |
| D | 0008957 | molecular_function | phenylacetaldehyde dehydrogenase (NAD+) activity |
| D | 0009055 | molecular_function | electron transfer activity |
| D | 0016491 | molecular_function | oxidoreductase activity |
| D | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
| D | 0018937 | biological_process | nitroglycerin metabolic process |
| D | 0046185 | biological_process | aldehyde catabolic process |
| D | 0051287 | molecular_function | NAD binding |
| D | 0070062 | cellular_component | extracellular exosome |
| D | 0106435 | molecular_function | carboxylesterase activity |
| D | 0110095 | biological_process | cellular detoxification of aldehyde |
| D | 1903179 | biological_process | regulation of dopamine biosynthetic process |
| D | 1905627 | biological_process | regulation of serotonin biosynthetic process |
| E | 0004029 | molecular_function | aldehyde dehydrogenase (NAD+) activity |
| E | 0004030 | molecular_function | aldehyde dehydrogenase [NAD(P)+] activity |
| E | 0005739 | cellular_component | mitochondrion |
| E | 0005759 | cellular_component | mitochondrial matrix |
| E | 0005975 | biological_process | carbohydrate metabolic process |
| E | 0006066 | biological_process | alcohol metabolic process |
| E | 0006067 | biological_process | ethanol metabolic process |
| E | 0006068 | biological_process | ethanol catabolic process |
| E | 0008957 | molecular_function | phenylacetaldehyde dehydrogenase (NAD+) activity |
| E | 0009055 | molecular_function | electron transfer activity |
| E | 0016491 | molecular_function | oxidoreductase activity |
| E | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
| E | 0018937 | biological_process | nitroglycerin metabolic process |
| E | 0046185 | biological_process | aldehyde catabolic process |
| E | 0051287 | molecular_function | NAD binding |
| E | 0070062 | cellular_component | extracellular exosome |
| E | 0106435 | molecular_function | carboxylesterase activity |
| E | 0110095 | biological_process | cellular detoxification of aldehyde |
| E | 1903179 | biological_process | regulation of dopamine biosynthetic process |
| E | 1905627 | biological_process | regulation of serotonin biosynthetic process |
| F | 0004029 | molecular_function | aldehyde dehydrogenase (NAD+) activity |
| F | 0004030 | molecular_function | aldehyde dehydrogenase [NAD(P)+] activity |
| F | 0005739 | cellular_component | mitochondrion |
| F | 0005759 | cellular_component | mitochondrial matrix |
| F | 0005975 | biological_process | carbohydrate metabolic process |
| F | 0006066 | biological_process | alcohol metabolic process |
| F | 0006067 | biological_process | ethanol metabolic process |
| F | 0006068 | biological_process | ethanol catabolic process |
| F | 0008957 | molecular_function | phenylacetaldehyde dehydrogenase (NAD+) activity |
| F | 0009055 | molecular_function | electron transfer activity |
| F | 0016491 | molecular_function | oxidoreductase activity |
| F | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
| F | 0018937 | biological_process | nitroglycerin metabolic process |
| F | 0046185 | biological_process | aldehyde catabolic process |
| F | 0051287 | molecular_function | NAD binding |
| F | 0070062 | cellular_component | extracellular exosome |
| F | 0106435 | molecular_function | carboxylesterase activity |
| F | 0110095 | biological_process | cellular detoxification of aldehyde |
| F | 1903179 | biological_process | regulation of dopamine biosynthetic process |
| F | 1905627 | biological_process | regulation of serotonin biosynthetic process |
| G | 0004029 | molecular_function | aldehyde dehydrogenase (NAD+) activity |
| G | 0004030 | molecular_function | aldehyde dehydrogenase [NAD(P)+] activity |
| G | 0005739 | cellular_component | mitochondrion |
| G | 0005759 | cellular_component | mitochondrial matrix |
| G | 0005975 | biological_process | carbohydrate metabolic process |
| G | 0006066 | biological_process | alcohol metabolic process |
| G | 0006067 | biological_process | ethanol metabolic process |
| G | 0006068 | biological_process | ethanol catabolic process |
| G | 0008957 | molecular_function | phenylacetaldehyde dehydrogenase (NAD+) activity |
| G | 0009055 | molecular_function | electron transfer activity |
| G | 0016491 | molecular_function | oxidoreductase activity |
| G | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
| G | 0018937 | biological_process | nitroglycerin metabolic process |
| G | 0046185 | biological_process | aldehyde catabolic process |
| G | 0051287 | molecular_function | NAD binding |
| G | 0070062 | cellular_component | extracellular exosome |
| G | 0106435 | molecular_function | carboxylesterase activity |
| G | 0110095 | biological_process | cellular detoxification of aldehyde |
| G | 1903179 | biological_process | regulation of dopamine biosynthetic process |
| G | 1905627 | biological_process | regulation of serotonin biosynthetic process |
| H | 0004029 | molecular_function | aldehyde dehydrogenase (NAD+) activity |
| H | 0004030 | molecular_function | aldehyde dehydrogenase [NAD(P)+] activity |
| H | 0005739 | cellular_component | mitochondrion |
| H | 0005759 | cellular_component | mitochondrial matrix |
| H | 0005975 | biological_process | carbohydrate metabolic process |
| H | 0006066 | biological_process | alcohol metabolic process |
| H | 0006067 | biological_process | ethanol metabolic process |
| H | 0006068 | biological_process | ethanol catabolic process |
| H | 0008957 | molecular_function | phenylacetaldehyde dehydrogenase (NAD+) activity |
| H | 0009055 | molecular_function | electron transfer activity |
| H | 0016491 | molecular_function | oxidoreductase activity |
| H | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
| H | 0018937 | biological_process | nitroglycerin metabolic process |
| H | 0046185 | biological_process | aldehyde catabolic process |
| H | 0051287 | molecular_function | NAD binding |
| H | 0070062 | cellular_component | extracellular exosome |
| H | 0106435 | molecular_function | carboxylesterase activity |
| H | 0110095 | biological_process | cellular detoxification of aldehyde |
| H | 1903179 | biological_process | regulation of dopamine biosynthetic process |
| H | 1905627 | biological_process | regulation of serotonin biosynthetic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG A 4601 |
| Chain | Residue |
| A | NAI4606 |
| A | HOH4731 |
| A | HOH4733 |
| A | HOH4866 |
| A | HOH4867 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA A 4602 |
| Chain | Residue |
| A | HOH4919 |
| A | THR39 |
| A | VAL40 |
| A | ASP109 |
| A | GLN196 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GAI A 4603 |
| Chain | Residue |
| A | PHE70 |
| A | GLU157 |
| A | PRO158 |
| A | VAL159 |
| A | HOH5100 |
| A | HOH5101 |
| B | TYR468 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GAI A 4604 |
| Chain | Residue |
| A | ILE146 |
| A | ASP147 |
| A | PHE150 |
| A | HOH4753 |
| A | HOH4758 |
| B | PHE459 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO A 4605 |
| Chain | Residue |
| A | TYR153 |
| A | ARG155 |
| A | HOH5072 |
| B | SER443 |
| D | PHE151 |
| site_id | AC6 |
| Number of Residues | 32 |
| Details | BINDING SITE FOR RESIDUE NAI A 4606 |
| Chain | Residue |
| A | ILE165 |
| A | ILE166 |
| A | PRO167 |
| A | TRP168 |
| A | ASN169 |
| A | LYS192 |
| A | GLU195 |
| A | GLY225 |
| A | GLY229 |
| A | ALA230 |
| A | PHE243 |
| A | GLY245 |
| A | SER246 |
| A | ILE249 |
| A | ILE253 |
| A | GLU268 |
| A | LEU269 |
| A | CYS302 |
| A | GLN349 |
| A | GLU399 |
| A | PHE401 |
| A | MG4601 |
| A | HOH4728 |
| A | HOH4729 |
| A | HOH4731 |
| A | HOH4734 |
| A | HOH4735 |
| A | HOH4738 |
| A | HOH4851 |
| A | HOH4866 |
| A | HOH4867 |
| A | HOH5114 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG B 601 |
| Chain | Residue |
| B | NAI606 |
| B | HOH785 |
| B | HOH786 |
| B | HOH787 |
| B | HOH788 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA B 602 |
| Chain | Residue |
| B | THR39 |
| B | VAL40 |
| B | ASP109 |
| B | GLN196 |
| B | HOH797 |
| site_id | AC9 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GAI B 603 |
| Chain | Residue |
| A | TYR468 |
| B | GLU157 |
| B | PRO158 |
| B | VAL159 |
| B | HOH751 |
| B | HOH996 |
| B | HOH998 |
| site_id | BC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GAI B 604 |
| Chain | Residue |
| A | PHE459 |
| A | HOH4898 |
| B | ILE146 |
| B | ASP147 |
| B | PHE150 |
| B | HOH1043 |
| site_id | BC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO B 605 |
| Chain | Residue |
| A | SER443 |
| B | TYR153 |
| B | ARG155 |
| C | PHE151 |
| site_id | BC3 |
| Number of Residues | 33 |
| Details | BINDING SITE FOR RESIDUE NAI B 606 |
| Chain | Residue |
| B | GLY245 |
| B | SER246 |
| B | ILE249 |
| B | ILE253 |
| B | GLU268 |
| B | LEU269 |
| B | CYS302 |
| B | GLN349 |
| B | GLU399 |
| B | PHE401 |
| B | MG601 |
| B | HOH713 |
| B | HOH775 |
| B | HOH776 |
| B | HOH785 |
| B | HOH786 |
| B | HOH788 |
| B | HOH790 |
| B | HOH1099 |
| B | HOH1100 |
| B | HOH1196 |
| B | ILE165 |
| B | ILE166 |
| B | PRO167 |
| B | TRP168 |
| B | ASN169 |
| B | LYS192 |
| B | GLU195 |
| B | GLY225 |
| B | PRO226 |
| B | GLY229 |
| B | ALA230 |
| B | PHE243 |
| site_id | BC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG C 601 |
| Chain | Residue |
| C | NAI606 |
| C | HOH1039 |
| C | HOH1040 |
| C | HOH1066 |
| C | HOH1067 |
| site_id | BC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA C 602 |
| Chain | Residue |
| C | THR39 |
| C | VAL40 |
| C | ASP109 |
| C | GLN196 |
| C | HOH1056 |
| site_id | BC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GAI C 603 |
| Chain | Residue |
| C | GLU157 |
| C | PRO158 |
| C | VAL159 |
| C | HOH721 |
| D | TYR468 |
| site_id | BC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GAI C 604 |
| Chain | Residue |
| C | ASP147 |
| C | PHE150 |
| C | HOH865 |
| C | HOH870 |
| D | PHE459 |
| D | HOH1006 |
| site_id | BC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO C 605 |
| Chain | Residue |
| B | PHE151 |
| C | TYR153 |
| C | ARG155 |
| D | SER443 |
| site_id | BC9 |
| Number of Residues | 34 |
| Details | BINDING SITE FOR RESIDUE NAI C 606 |
| Chain | Residue |
| C | ILE165 |
| C | ILE166 |
| C | PRO167 |
| C | TRP168 |
| C | ASN169 |
| C | LYS192 |
| C | ALA194 |
| C | GLU195 |
| C | GLN196 |
| C | GLY225 |
| C | GLY229 |
| C | ALA230 |
| C | PHE243 |
| C | GLY245 |
| C | SER246 |
| C | ILE249 |
| C | ILE253 |
| C | GLU268 |
| C | LEU269 |
| C | CYS302 |
| C | GLN349 |
| C | LYS352 |
| C | GLU399 |
| C | PHE401 |
| C | MG601 |
| C | HOH969 |
| C | HOH971 |
| C | HOH1038 |
| C | HOH1039 |
| C | HOH1051 |
| C | HOH1052 |
| C | HOH1066 |
| C | HOH1067 |
| C | HOH1068 |
| site_id | CC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG D 601 |
| Chain | Residue |
| D | NAI606 |
| D | HOH717 |
| D | HOH718 |
| D | HOH719 |
| D | HOH720 |
| site_id | CC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE NA D 602 |
| Chain | Residue |
| D | THR39 |
| D | VAL40 |
| D | ASP109 |
| D | GLN196 |
| D | HOH1118 |
| D | HOH1119 |
| site_id | CC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GAI D 603 |
| Chain | Residue |
| C | TYR468 |
| D | GLU157 |
| D | PRO158 |
| D | VAL159 |
| site_id | CC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GAI D 604 |
| Chain | Residue |
| C | PHE459 |
| C | HOH754 |
| D | ILE146 |
| D | ASP147 |
| D | PHE150 |
| site_id | CC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO D 605 |
| Chain | Residue |
| A | PHE151 |
| C | SER443 |
| D | TYR153 |
| D | ARG155 |
| site_id | CC6 |
| Number of Residues | 31 |
| Details | BINDING SITE FOR RESIDUE NAI D 606 |
| Chain | Residue |
| D | ILE165 |
| D | ILE166 |
| D | PRO167 |
| D | TRP168 |
| D | ASN169 |
| D | LYS192 |
| D | GLU195 |
| D | GLY225 |
| D | GLY229 |
| D | ALA230 |
| D | PHE243 |
| D | GLY245 |
| D | SER246 |
| D | ILE249 |
| D | ILE253 |
| D | GLU268 |
| D | LEU269 |
| D | CYS302 |
| D | GLN349 |
| D | LYS352 |
| D | GLU399 |
| D | PHE401 |
| D | MG601 |
| D | HOH715 |
| D | HOH717 |
| D | HOH718 |
| D | HOH721 |
| D | HOH722 |
| D | HOH729 |
| D | HOH1024 |
| D | HOH1079 |
| site_id | CC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG E 601 |
| Chain | Residue |
| E | NAI606 |
| E | HOH787 |
| E | HOH788 |
| E | HOH920 |
| E | HOH921 |
| site_id | CC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA E 602 |
| Chain | Residue |
| E | THR39 |
| E | VAL40 |
| E | ASP109 |
| E | GLN196 |
| E | HOH1084 |
| site_id | CC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GAI E 603 |
| Chain | Residue |
| E | GLU157 |
| E | PRO158 |
| E | VAL159 |
| F | TYR468 |
| site_id | DC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GAI E 604 |
| Chain | Residue |
| E | ASP147 |
| E | PHE150 |
| F | PHE459 |
| F | HOH1132 |
| site_id | DC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO E 605 |
| Chain | Residue |
| E | TYR153 |
| E | ARG155 |
| E | HOH1008 |
| F | SER443 |
| H | PHE151 |
| site_id | DC3 |
| Number of Residues | 33 |
| Details | BINDING SITE FOR RESIDUE NAI E 606 |
| Chain | Residue |
| E | ILE165 |
| E | ILE166 |
| E | PRO167 |
| E | TRP168 |
| E | ASN169 |
| E | LYS192 |
| E | GLU195 |
| E | GLN196 |
| E | GLY225 |
| E | GLY229 |
| E | ALA230 |
| E | PHE243 |
| E | GLY245 |
| E | SER246 |
| E | ILE249 |
| E | ILE253 |
| E | GLU268 |
| E | LEU269 |
| E | CYS302 |
| E | GLN349 |
| E | GLU399 |
| E | PHE401 |
| E | MG601 |
| E | HOH782 |
| E | HOH783 |
| E | HOH787 |
| E | HOH789 |
| E | HOH790 |
| E | HOH792 |
| E | HOH920 |
| E | HOH921 |
| E | HOH923 |
| E | HOH1107 |
| site_id | DC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG F 601 |
| Chain | Residue |
| F | NAI607 |
| F | HOH783 |
| F | HOH784 |
| F | HOH816 |
| F | HOH817 |
| site_id | DC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA F 602 |
| Chain | Residue |
| F | THR39 |
| F | VAL40 |
| F | ASP109 |
| F | GLN196 |
| F | HOH1017 |
| site_id | DC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GAI F 603 |
| Chain | Residue |
| E | TYR468 |
| F | GLU157 |
| F | PRO158 |
| F | VAL159 |
| F | HOH739 |
| F | HOH740 |
| site_id | DC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GAI F 604 |
| Chain | Residue |
| E | PHE459 |
| E | HOH1048 |
| F | ILE146 |
| F | ASP147 |
| F | PHE150 |
| site_id | DC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO F 605 |
| Chain | Residue |
| E | SER443 |
| F | TYR153 |
| F | ARG155 |
| G | PHE151 |
| site_id | DC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO F 606 |
| Chain | Residue |
| F | PHE151 |
| F | HOH907 |
| G | TYR153 |
| G | ARG155 |
| H | SER443 |
| site_id | EC1 |
| Number of Residues | 35 |
| Details | BINDING SITE FOR RESIDUE NAI F 607 |
| Chain | Residue |
| F | ILE165 |
| F | ILE166 |
| F | PRO167 |
| F | TRP168 |
| F | ASN169 |
| F | LYS192 |
| F | GLU195 |
| F | GLN196 |
| F | GLY225 |
| F | PRO226 |
| F | GLY229 |
| F | ALA230 |
| F | PHE243 |
| F | GLY245 |
| F | SER246 |
| F | ILE249 |
| F | ILE253 |
| F | GLU268 |
| F | LEU269 |
| F | CYS302 |
| F | GLN349 |
| F | LYS352 |
| F | GLU399 |
| F | PHE401 |
| F | MG601 |
| F | HOH777 |
| F | HOH781 |
| F | HOH782 |
| F | HOH784 |
| F | HOH786 |
| F | HOH804 |
| F | HOH805 |
| F | HOH816 |
| F | HOH817 |
| F | HOH980 |
| site_id | EC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG G 601 |
| Chain | Residue |
| G | NAI606 |
| G | HOH706 |
| G | HOH707 |
| G | HOH708 |
| G | HOH709 |
| site_id | EC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA G 602 |
| Chain | Residue |
| G | THR39 |
| G | VAL40 |
| G | ASP109 |
| G | GLN196 |
| G | HOH718 |
| site_id | EC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GAI G 603 |
| Chain | Residue |
| G | GLU157 |
| G | PRO158 |
| G | VAL159 |
| G | HOH1103 |
| G | HOH1104 |
| H | TYR468 |
| site_id | EC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GAI G 604 |
| Chain | Residue |
| G | ILE146 |
| G | ASP147 |
| G | PHE150 |
| G | HOH1056 |
| H | PHE459 |
| H | HOH935 |
| site_id | EC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GAI G 605 |
| Chain | Residue |
| G | PHE459 |
| G | HOH1012 |
| H | ILE146 |
| H | ASP147 |
| H | PHE150 |
| site_id | EC7 |
| Number of Residues | 35 |
| Details | BINDING SITE FOR RESIDUE NAI G 606 |
| Chain | Residue |
| G | ILE165 |
| G | ILE166 |
| G | PRO167 |
| G | TRP168 |
| G | ASN169 |
| G | LYS192 |
| G | ALA194 |
| G | GLU195 |
| G | GLY225 |
| G | GLY229 |
| G | ALA230 |
| G | PHE243 |
| G | GLY245 |
| G | SER246 |
| G | ILE249 |
| G | ILE253 |
| G | GLU268 |
| G | LEU269 |
| G | CYS302 |
| G | GLN349 |
| G | LYS352 |
| G | GLU399 |
| G | PHE401 |
| G | MG601 |
| G | HOH704 |
| G | HOH705 |
| G | HOH707 |
| G | HOH708 |
| G | HOH709 |
| G | HOH710 |
| G | HOH711 |
| G | HOH736 |
| G | HOH737 |
| G | HOH845 |
| G | HOH1097 |
| site_id | EC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG H 601 |
| Chain | Residue |
| H | NAI605 |
| H | HOH763 |
| H | HOH768 |
| H | HOH769 |
| H | HOH770 |
| site_id | EC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA H 602 |
| Chain | Residue |
| H | THR39 |
| H | VAL40 |
| H | ASP109 |
| H | GLN196 |
| H | HOH753 |
| site_id | FC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GAI H 603 |
| Chain | Residue |
| G | TYR468 |
| H | GLU157 |
| H | PRO158 |
| H | VAL159 |
| H | HOH850 |
| H | HOH851 |
| site_id | FC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO H 604 |
| Chain | Residue |
| E | PHE151 |
| G | SER443 |
| H | TYR153 |
| H | ARG155 |
| site_id | FC3 |
| Number of Residues | 33 |
| Details | BINDING SITE FOR RESIDUE NAI H 605 |
| Chain | Residue |
| H | ILE165 |
| H | ILE166 |
| H | PRO167 |
| H | TRP168 |
| H | ASN169 |
| H | LYS192 |
| H | ALA194 |
| H | GLU195 |
| H | GLN196 |
| H | GLY225 |
| H | GLY229 |
| H | ALA230 |
| H | PHE243 |
| H | GLY245 |
| H | SER246 |
| H | ILE249 |
| H | ILE253 |
| H | GLU268 |
| H | LEU269 |
| H | CYS302 |
| H | GLN349 |
| H | GLU399 |
| H | PHE401 |
| H | MG601 |
| H | HOH724 |
| H | HOH725 |
| H | HOH762 |
| H | HOH763 |
| H | HOH765 |
| H | HOH767 |
| H | HOH771 |
| H | HOH773 |
| H | HOH793 |
Functional Information from PROSITE/UniProt
| site_id | PS00070 |
| Number of Residues | 12 |
| Details | ALDEHYDE_DEHYDR_CYS Aldehyde dehydrogenases cysteine active site. FfNQGQCCCAGS |
| Chain | Residue | Details |
| A | PHE295-SER306 |
| site_id | PS00687 |
| Number of Residues | 8 |
| Details | ALDEHYDE_DEHYDR_GLU Aldehyde dehydrogenases glutamic acid active site. LELGGKSP |
| Chain | Residue | Details |
| A | LEU267-PRO274 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 8 |
| Details | Active site: {"description":"Proton acceptor"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 8 |
| Details | Active site: {"description":"Nucleophile"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 40 |
| Details | Binding site: {"evidences":[{"evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 8 |
| Details | Site: {"description":"Transition state stabilizer","evidences":[{"source":"UniProtKB","id":"P20000","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 72 |
| Details | Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"UniProtKB","id":"P47738","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1a4s |
| Chain | Residue | Details |
| A | CYS302 | |
| A | GLU268 | |
| A | ASN169 |
| site_id | CSA10 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1a4s |
| Chain | Residue | Details |
| B | CYS302 | |
| B | LYS192 | |
| B | GLU268 | |
| B | GLU399 |
| site_id | CSA11 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1a4s |
| Chain | Residue | Details |
| C | CYS302 | |
| C | LYS192 | |
| C | GLU268 | |
| C | GLU399 |
| site_id | CSA12 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1a4s |
| Chain | Residue | Details |
| D | CYS302 | |
| D | LYS192 | |
| D | GLU268 | |
| D | GLU399 |
| site_id | CSA13 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1a4s |
| Chain | Residue | Details |
| E | CYS302 | |
| E | LYS192 | |
| E | GLU268 | |
| E | GLU399 |
| site_id | CSA14 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1a4s |
| Chain | Residue | Details |
| F | CYS302 | |
| F | LYS192 | |
| F | GLU268 | |
| F | GLU399 |
| site_id | CSA15 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1a4s |
| Chain | Residue | Details |
| G | CYS302 | |
| G | LYS192 | |
| G | GLU268 | |
| G | GLU399 |
| site_id | CSA16 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1a4s |
| Chain | Residue | Details |
| H | CYS302 | |
| H | LYS192 | |
| H | GLU268 | |
| H | GLU399 |
| site_id | CSA2 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1a4s |
| Chain | Residue | Details |
| B | CYS302 | |
| B | GLU268 | |
| B | ASN169 |
| site_id | CSA3 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1a4s |
| Chain | Residue | Details |
| C | CYS302 | |
| C | GLU268 | |
| C | ASN169 |
| site_id | CSA4 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1a4s |
| Chain | Residue | Details |
| D | CYS302 | |
| D | GLU268 | |
| D | ASN169 |
| site_id | CSA5 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1a4s |
| Chain | Residue | Details |
| E | CYS302 | |
| E | GLU268 | |
| E | ASN169 |
| site_id | CSA6 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1a4s |
| Chain | Residue | Details |
| F | CYS302 | |
| F | GLU268 | |
| F | ASN169 |
| site_id | CSA7 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1a4s |
| Chain | Residue | Details |
| G | CYS302 | |
| G | GLU268 | |
| G | ASN169 |
| site_id | CSA8 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1a4s |
| Chain | Residue | Details |
| H | CYS302 | |
| H | GLU268 | |
| H | ASN169 |
| site_id | CSA9 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1a4s |
| Chain | Residue | Details |
| A | CYS302 | |
| A | LYS192 | |
| A | GLU268 | |
| A | GLU399 |
| site_id | MCSA1 |
| Number of Residues | 4 |
| Details | M-CSA 803 |
| Chain | Residue | Details |
| A | LYS192 | electrostatic stabiliser |
| A | GLU268 | electrostatic stabiliser, proton acceptor, proton donor |
| A | CYS302 | covalently attached, electrostatic stabiliser, nucleofuge, nucleophile, proton acceptor, proton donor |
| A | GLU399 | electrostatic stabiliser |
| site_id | MCSA2 |
| Number of Residues | 4 |
| Details | M-CSA 803 |
| Chain | Residue | Details |
| B | LYS192 | electrostatic stabiliser |
| B | GLU268 | electrostatic stabiliser, proton acceptor, proton donor |
| B | CYS302 | covalently attached, electrostatic stabiliser, nucleofuge, nucleophile, proton acceptor, proton donor |
| B | GLU399 | electrostatic stabiliser |
| site_id | MCSA3 |
| Number of Residues | 4 |
| Details | M-CSA 803 |
| Chain | Residue | Details |
| C | LYS192 | electrostatic stabiliser |
| C | GLU268 | electrostatic stabiliser, proton acceptor, proton donor |
| C | CYS302 | covalently attached, electrostatic stabiliser, nucleofuge, nucleophile, proton acceptor, proton donor |
| C | GLU399 | electrostatic stabiliser |
| site_id | MCSA4 |
| Number of Residues | 4 |
| Details | M-CSA 803 |
| Chain | Residue | Details |
| D | LYS192 | electrostatic stabiliser |
| D | GLU268 | electrostatic stabiliser, proton acceptor, proton donor |
| D | CYS302 | covalently attached, electrostatic stabiliser, nucleofuge, nucleophile, proton acceptor, proton donor |
| D | GLU399 | electrostatic stabiliser |
| site_id | MCSA5 |
| Number of Residues | 4 |
| Details | M-CSA 803 |
| Chain | Residue | Details |
| E | LYS192 | electrostatic stabiliser |
| E | GLU268 | electrostatic stabiliser, proton acceptor, proton donor |
| E | CYS302 | covalently attached, electrostatic stabiliser, nucleofuge, nucleophile, proton acceptor, proton donor |
| E | GLU399 | electrostatic stabiliser |
| site_id | MCSA6 |
| Number of Residues | 4 |
| Details | M-CSA 803 |
| Chain | Residue | Details |
| F | LYS192 | electrostatic stabiliser |
| F | GLU268 | electrostatic stabiliser, proton acceptor, proton donor |
| F | CYS302 | covalently attached, electrostatic stabiliser, nucleofuge, nucleophile, proton acceptor, proton donor |
| F | GLU399 | electrostatic stabiliser |
| site_id | MCSA7 |
| Number of Residues | 4 |
| Details | M-CSA 803 |
| Chain | Residue | Details |
| G | LYS192 | electrostatic stabiliser |
| G | GLU268 | electrostatic stabiliser, proton acceptor, proton donor |
| G | CYS302 | covalently attached, electrostatic stabiliser, nucleofuge, nucleophile, proton acceptor, proton donor |
| G | GLU399 | electrostatic stabiliser |
| site_id | MCSA8 |
| Number of Residues | 4 |
| Details | M-CSA 803 |
| Chain | Residue | Details |
| H | LYS192 | electrostatic stabiliser |
| H | GLU268 | electrostatic stabiliser, proton acceptor, proton donor |
| H | CYS302 | covalently attached, electrostatic stabiliser, nucleofuge, nucleophile, proton acceptor, proton donor |
| H | GLU399 | electrostatic stabiliser |
