1O01
Human mitochondrial aldehyde dehydrogenase complexed with crotonaldehyde, NAD(H) and 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 | 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 | 0018547 | molecular_function | nitroglycerin reductase activity |
| A | 0043878 | molecular_function | glyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity |
| 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 | 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 | 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 | 0018547 | molecular_function | nitroglycerin reductase activity |
| B | 0043878 | molecular_function | glyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity |
| 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 | 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 | 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 | 0018547 | molecular_function | nitroglycerin reductase activity |
| C | 0043878 | molecular_function | glyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity |
| 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 | 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 | 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 | 0018547 | molecular_function | nitroglycerin reductase activity |
| D | 0043878 | molecular_function | glyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity |
| 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 | 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 | 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 | 0018547 | molecular_function | nitroglycerin reductase activity |
| E | 0043878 | molecular_function | glyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity |
| 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 | 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 | 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 | 0018547 | molecular_function | nitroglycerin reductase activity |
| F | 0043878 | molecular_function | glyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity |
| 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 | 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 | 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 | 0018547 | molecular_function | nitroglycerin reductase activity |
| G | 0043878 | molecular_function | glyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity |
| 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 | 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 | 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 | 0018547 | molecular_function | nitroglycerin reductase activity |
| H | 0043878 | molecular_function | glyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity |
| 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 | 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 | 4 |
| Details | BINDING SITE FOR RESIDUE MG A 4601 |
| Chain | Residue |
| A | NAD5501 |
| A | HOH5513 |
| A | HOH5524 |
| A | HOH5830 |
| site_id | AC2 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE MG B 4602 |
| Chain | Residue |
| B | NAD5502 |
| B | HOH5543 |
| site_id | AC3 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE MG C 4603 |
| Chain | Residue |
| C | NAD5503 |
| C | HOH5927 |
| site_id | AC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE MG D 4604 |
| Chain | Residue |
| D | HOH5676 |
| D | HOH5679 |
| D | NAD5504 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE MG E 4605 |
| Chain | Residue |
| E | NAD5505 |
| E | HOH5674 |
| E | HOH5921 |
| E | HOH5922 |
| site_id | AC6 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE MG F 4606 |
| Chain | Residue |
| F | HOH2363 |
| F | HOH2365 |
| F | NAD5506 |
| site_id | AC7 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE MG G 4607 |
| Chain | Residue |
| G | HOH1800 |
| G | NAD5507 |
| site_id | AC8 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE MG H 4608 |
| Chain | Residue |
| H | HOH3284 |
| H | NAD5508 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA A 4701 |
| Chain | Residue |
| A | THR39 |
| A | VAL40 |
| A | ASP109 |
| A | GLN196 |
| A | HOH5531 |
| site_id | BC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA B 4702 |
| Chain | Residue |
| B | THR39 |
| B | VAL40 |
| B | ASP109 |
| B | GLN196 |
| B | HOH5982 |
| site_id | BC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE NA C 4703 |
| Chain | Residue |
| C | THR39 |
| C | VAL40 |
| C | ASP109 |
| C | GLN196 |
| C | HOH5665 |
| C | HOH5666 |
| site_id | BC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA D 4704 |
| Chain | Residue |
| D | THR39 |
| D | VAL40 |
| D | ASP109 |
| D | GLN196 |
| D | HOH5704 |
| site_id | BC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA E 4705 |
| Chain | Residue |
| E | THR39 |
| E | VAL40 |
| E | ASP109 |
| E | GLN196 |
| E | HOH5685 |
| site_id | BC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA F 4706 |
| Chain | Residue |
| F | THR39 |
| F | VAL40 |
| F | ASP109 |
| F | GLN196 |
| F | HOH2342 |
| site_id | BC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA G 4707 |
| Chain | Residue |
| G | THR39 |
| G | VAL40 |
| G | ASP109 |
| G | GLN196 |
| G | HOH1792 |
| site_id | BC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA H 4708 |
| Chain | Residue |
| H | THR39 |
| H | VAL40 |
| H | ASP109 |
| H | GLN196 |
| H | HOH1836 |
| site_id | BC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CRD B 4512 |
| Chain | Residue |
| B | PHE170 |
| B | CYS301 |
| B | CYS302 |
| B | PHE459 |
| site_id | BC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CRD C 4513 |
| Chain | Residue |
| C | PHE170 |
| C | CYS301 |
| C | CYS302 |
| C | NAD5503 |
| site_id | CC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CRD D 4514 |
| Chain | Residue |
| D | ASN169 |
| D | PHE170 |
| D | CYS301 |
| D | CYS302 |
| D | PHE459 |
| D | NAD5504 |
| site_id | CC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CRD E 4515 |
| Chain | Residue |
| E | PHE170 |
| E | MET174 |
| E | TRP177 |
| E | CYS301 |
| E | CYS302 |
| E | PHE459 |
| site_id | CC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CRD F 4516 |
| Chain | Residue |
| F | PHE170 |
| F | CYS301 |
| F | CYS302 |
| F | PHE459 |
| site_id | CC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CRD G 4517 |
| Chain | Residue |
| G | ASN169 |
| G | PHE170 |
| G | CYS301 |
| G | CYS302 |
| G | PHE459 |
| G | NAD5507 |
| site_id | CC5 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GAI A 4801 |
| Chain | Residue |
| A | HOH5714 |
| B | TYR468 |
| A | PHE70 |
| A | GLU157 |
| A | PRO158 |
| A | VAL159 |
| A | HOH5711 |
| A | HOH5712 |
| site_id | CC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GAI B 4802 |
| Chain | Residue |
| A | TYR468 |
| B | GLU157 |
| B | PRO158 |
| B | VAL159 |
| B | HOH5697 |
| site_id | CC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GAI C 4803 |
| Chain | Residue |
| C | GLU157 |
| C | PRO158 |
| C | VAL159 |
| C | HOH5793 |
| D | TYR468 |
| site_id | CC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GAI D 4804 |
| Chain | Residue |
| C | TYR468 |
| D | GLU157 |
| D | PRO158 |
| D | VAL159 |
| D | HOH5775 |
| D | HOH5777 |
| site_id | CC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GAI E 4805 |
| Chain | Residue |
| E | PHE70 |
| E | GLU157 |
| E | PRO158 |
| E | VAL159 |
| E | HOH5513 |
| site_id | DC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GAI F 4806 |
| Chain | Residue |
| E | TYR468 |
| F | GLU157 |
| F | PRO158 |
| F | VAL159 |
| F | HOH3223 |
| F | HOH3224 |
| site_id | DC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GAI G 4807 |
| Chain | Residue |
| G | GLU157 |
| G | PRO158 |
| G | VAL159 |
| G | HOH1631 |
| H | TYR468 |
| site_id | DC3 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GAI H 4808 |
| Chain | Residue |
| G | GLN447 |
| G | TYR468 |
| H | GLU157 |
| H | PRO158 |
| H | VAL159 |
| H | HOH2989 |
| H | HOH2990 |
| H | HOH2991 |
| site_id | DC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO D 4901 |
| Chain | Residue |
| A | TYR153 |
| A | ARG155 |
| B | SER443 |
| D | PHE151 |
| D | HOH5760 |
| site_id | DC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO C 4902 |
| Chain | Residue |
| A | ASN440 |
| A | SER443 |
| B | TYR153 |
| B | ARG155 |
| C | PHE151 |
| site_id | DC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO C 4903 |
| Chain | Residue |
| B | PHE151 |
| C | TYR153 |
| C | ARG155 |
| D | SER443 |
| site_id | DC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO D 4904 |
| Chain | Residue |
| A | PHE151 |
| C | SER443 |
| D | TYR153 |
| D | ARG155 |
| D | HOH5770 |
| site_id | DC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO E 4905 |
| Chain | Residue |
| E | TYR153 |
| E | ARG155 |
| F | SER443 |
| H | PHE151 |
| site_id | DC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO F 4906 |
| Chain | Residue |
| E | SER443 |
| F | TYR153 |
| F | ARG155 |
| G | PHE151 |
| site_id | EC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO G 4907 |
| Chain | Residue |
| F | PHE151 |
| G | TYR153 |
| G | ARG155 |
| H | SER443 |
| site_id | EC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO H 4908 |
| Chain | Residue |
| E | PHE151 |
| G | ASN440 |
| G | SER443 |
| H | TYR153 |
| H | ARG155 |
| site_id | EC3 |
| Number of Residues | 28 |
| Details | BINDING SITE FOR RESIDUE NAD A 5501 |
| Chain | Residue |
| A | ILE165 |
| A | ILE166 |
| A | PRO167 |
| A | TRP168 |
| A | ASN169 |
| A | LYS192 |
| A | ALA194 |
| A | GLU195 |
| A | GLY225 |
| A | GLY229 |
| A | ALA230 |
| A | PHE243 |
| A | GLY245 |
| A | SER246 |
| A | ILE249 |
| A | ILE253 |
| A | LEU269 |
| A | CYS302 |
| A | GLN349 |
| A | GLU399 |
| A | PHE401 |
| A | MG4601 |
| A | HOH5512 |
| A | HOH5525 |
| A | HOH5794 |
| A | HOH5801 |
| A | HOH5934 |
| A | HOH5936 |
| site_id | EC4 |
| Number of Residues | 30 |
| Details | BINDING SITE FOR RESIDUE NAD B 5502 |
| Chain | Residue |
| B | ILE165 |
| B | ILE166 |
| B | PRO167 |
| B | TRP168 |
| B | ASN169 |
| B | LYS192 |
| B | GLU195 |
| B | GLN196 |
| B | GLY225 |
| B | GLY229 |
| B | ALA230 |
| B | PHE243 |
| B | GLY245 |
| B | SER246 |
| B | ILE249 |
| B | ILE253 |
| B | LEU269 |
| B | GLY270 |
| B | CYS302 |
| B | GLN349 |
| B | GLU399 |
| B | PHE401 |
| B | MG4602 |
| B | HOH5532 |
| B | HOH5533 |
| B | HOH5543 |
| B | HOH5544 |
| B | HOH5694 |
| B | HOH5972 |
| B | HOH5976 |
| site_id | EC5 |
| Number of Residues | 33 |
| Details | BINDING SITE FOR RESIDUE NAD C 5503 |
| 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 | LEU269 |
| C | GLY270 |
| C | CYS302 |
| C | GLN349 |
| C | LYS352 |
| C | GLU399 |
| C | PHE401 |
| C | CRD4513 |
| C | MG4603 |
| C | HOH5614 |
| C | HOH5615 |
| C | HOH5618 |
| C | HOH5620 |
| C | HOH5868 |
| C | HOH5925 |
| C | HOH5926 |
| site_id | EC6 |
| Number of Residues | 30 |
| Details | BINDING SITE FOR RESIDUE NAD D 5504 |
| Chain | Residue |
| D | ILE165 |
| D | ILE166 |
| D | PRO167 |
| D | TRP168 |
| D | ASN169 |
| D | LYS192 |
| D | GLU195 |
| D | GLN196 |
| D | GLY225 |
| D | GLY229 |
| D | ALA230 |
| D | PHE243 |
| D | GLY245 |
| D | SER246 |
| D | ILE249 |
| D | ILE253 |
| D | LEU269 |
| D | GLY270 |
| D | CYS302 |
| D | GLN349 |
| D | LYS352 |
| D | GLU399 |
| D | PHE401 |
| D | CRD4514 |
| D | MG4604 |
| D | HOH5681 |
| D | HOH5684 |
| D | HOH5685 |
| D | HOH5710 |
| D | HOH5910 |
| site_id | EC7 |
| Number of Residues | 32 |
| Details | BINDING SITE FOR RESIDUE NAD E 5505 |
| 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 | LEU269 |
| E | GLY270 |
| E | CYS302 |
| E | GLN349 |
| E | LYS352 |
| E | GLU399 |
| E | PHE401 |
| E | MG4605 |
| E | HOH5670 |
| E | HOH5672 |
| E | HOH5673 |
| E | HOH5675 |
| E | HOH5774 |
| E | HOH5809 |
| E | HOH5811 |
| E | HOH5922 |
| site_id | EC8 |
| Number of Residues | 30 |
| Details | BINDING SITE FOR RESIDUE NAD F 5506 |
| Chain | Residue |
| F | ILE165 |
| F | ILE166 |
| F | PRO167 |
| F | TRP168 |
| F | ASN169 |
| F | LYS192 |
| F | GLU195 |
| F | GLN196 |
| F | GLY225 |
| F | GLY229 |
| F | ALA230 |
| F | PHE243 |
| F | GLY245 |
| F | SER246 |
| F | ILE249 |
| F | ILE253 |
| F | LEU269 |
| F | GLY270 |
| F | CYS302 |
| F | GLN349 |
| F | LYS352 |
| F | GLU399 |
| F | PHE401 |
| F | HOH2357 |
| F | HOH2359 |
| F | HOH2367 |
| F | HOH2375 |
| F | HOH2376 |
| F | HOH2427 |
| F | MG4606 |
| site_id | EC9 |
| Number of Residues | 32 |
| Details | BINDING SITE FOR RESIDUE NAD G 5507 |
| Chain | Residue |
| G | ILE165 |
| G | ILE166 |
| G | PRO167 |
| G | TRP168 |
| G | ASN169 |
| G | LYS192 |
| G | ALA194 |
| G | GLU195 |
| G | GLN196 |
| G | GLY225 |
| G | GLY229 |
| G | ALA230 |
| G | PHE243 |
| G | GLY245 |
| G | SER246 |
| G | ILE249 |
| G | ILE253 |
| G | GLU268 |
| G | LEU269 |
| G | GLY270 |
| G | CYS302 |
| G | GLN349 |
| G | GLU399 |
| G | PHE401 |
| G | HOH1654 |
| G | HOH1800 |
| G | HOH1801 |
| G | HOH1804 |
| G | HOH1807 |
| G | HOH3291 |
| G | CRD4517 |
| G | MG4607 |
| site_id | FC1 |
| Number of Residues | 31 |
| Details | BINDING SITE FOR RESIDUE NAD H 5508 |
| 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 | LEU269 |
| H | GLY270 |
| H | CYS302 |
| H | GLN349 |
| H | LYS352 |
| H | GLU399 |
| H | PHE401 |
| H | HOH1819 |
| H | HOH1822 |
| H | HOH1824 |
| H | HOH1826 |
| H | HOH1827 |
| H | HOH3285 |
| H | MG4608 |
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 | ACT_SITE: Proton acceptor |
| Chain | Residue | Details |
| A | GLU268 | |
| B | GLU268 | |
| C | GLU268 | |
| D | GLU268 | |
| E | GLU268 | |
| F | GLU268 | |
| G | GLU268 | |
| H | GLU268 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 8 |
| Details | ACT_SITE: Nucleophile |
| Chain | Residue | Details |
| A | CYS302 | |
| B | CYS302 | |
| C | CYS302 | |
| D | CYS302 | |
| E | CYS302 | |
| F | CYS302 | |
| G | CYS302 | |
| H | CYS302 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 8 |
| Details | BINDING: BINDING => ECO:0000250 |
| Chain | Residue | Details |
| A | GLY245 | |
| B | GLY245 | |
| C | GLY245 | |
| D | GLY245 | |
| E | GLY245 | |
| F | GLY245 | |
| G | GLY245 | |
| H | GLY245 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 8 |
| Details | SITE: Transition state stabilizer => ECO:0000250|UniProtKB:P20000 |
| Chain | Residue | Details |
| A | ASN169 | |
| B | ASN169 | |
| C | ASN169 | |
| D | ASN169 | |
| E | ASN169 | |
| F | ASN169 | |
| G | ASN169 | |
| H | ASN169 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 72 |
| Details | MOD_RES: N6-acetyllysine => ECO:0000250|UniProtKB:P47738 |
| Chain | Residue | Details |
| A | LYS35 | |
| B | LYS35 | |
| B | LYS56 | |
| B | LYS61 | |
| B | LYS142 | |
| B | LYS351 | |
| B | LYS366 | |
| B | LYS409 | |
| B | LYS411 | |
| B | LYS434 | |
| C | LYS35 | |
| A | LYS56 | |
| C | LYS56 | |
| C | LYS61 | |
| C | LYS142 | |
| C | LYS351 | |
| C | LYS366 | |
| C | LYS409 | |
| C | LYS411 | |
| C | LYS434 | |
| D | LYS35 | |
| D | LYS56 | |
| A | LYS61 | |
| D | LYS61 | |
| D | LYS142 | |
| D | LYS351 | |
| D | LYS366 | |
| D | LYS409 | |
| D | LYS411 | |
| D | LYS434 | |
| E | LYS35 | |
| E | LYS56 | |
| E | LYS61 | |
| A | LYS142 | |
| E | LYS142 | |
| E | LYS351 | |
| E | LYS366 | |
| E | LYS409 | |
| E | LYS411 | |
| E | LYS434 | |
| F | LYS35 | |
| F | LYS56 | |
| F | LYS61 | |
| F | LYS142 | |
| A | LYS351 | |
| F | LYS351 | |
| F | LYS366 | |
| F | LYS409 | |
| F | LYS411 | |
| F | LYS434 | |
| G | LYS35 | |
| G | LYS56 | |
| G | LYS61 | |
| G | LYS142 | |
| G | LYS351 | |
| A | LYS366 | |
| G | LYS366 | |
| G | LYS409 | |
| G | LYS411 | |
| G | LYS434 | |
| H | LYS35 | |
| H | LYS56 | |
| H | LYS61 | |
| H | LYS142 | |
| H | LYS351 | |
| H | LYS366 | |
| A | LYS409 | |
| H | LYS409 | |
| H | LYS411 | |
| H | LYS434 | |
| A | LYS411 | |
| A | LYS434 |
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 |
