3N82
T244A mutant of Human mitochondrial aldehyde dehydrogenase, NADH complex
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 | 1 |
| Details | BINDING SITE FOR RESIDUE MG A 601 |
| Chain | Residue |
| A | NAD501 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE NA A 701 |
| Chain | Residue |
| A | THR39 |
| A | VAL40 |
| A | ASP109 |
| A | GLN196 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GAI A 801 |
| Chain | Residue |
| B | TYR468 |
| A | GLU157 |
| A | PRO158 |
| A | VAL159 |
| A | HOH808 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO A 901 |
| Chain | Residue |
| A | TYR153 |
| A | ARG155 |
| B | SER443 |
| D | PHE151 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO A 911 |
| Chain | Residue |
| A | GLN14 |
| A | ASN41 |
| A | THR44 |
| A | GLU46 |
| A | ILE48 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO A 921 |
| Chain | Residue |
| A | PHE18 |
| A | ASP98 |
| A | TYR101 |
| A | TYR203 |
| A | HOH971 |
| site_id | AC7 |
| Number of Residues | 27 |
| Details | BINDING SITE FOR RESIDUE NAD A 501 |
| 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 | GLU268 |
| A | LEU269 |
| A | CYS302 |
| A | GLN349 |
| A | GLU399 |
| A | PHE401 |
| A | HOH539 |
| A | HOH549 |
| A | MG601 |
| A | HOH2201 |
| A | HOH2394 |
| site_id | AC8 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE MG B 602 |
| Chain | Residue |
| B | NAD502 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA B 702 |
| Chain | Residue |
| B | THR39 |
| B | VAL40 |
| B | ASP109 |
| B | GLN196 |
| B | HOH1956 |
| site_id | BC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GAI B 802 |
| Chain | Residue |
| B | GLU157 |
| B | PRO158 |
| B | VAL159 |
| B | HOH525 |
| site_id | BC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE GAI B 812 |
| Chain | Residue |
| A | PHE459 |
| A | HOH608 |
| B | ASP147 |
| site_id | BC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO B 902 |
| Chain | Residue |
| A | SER443 |
| B | TYR153 |
| B | ARG155 |
| C | PHE151 |
| site_id | BC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO B 912 |
| Chain | Residue |
| B | GLN14 |
| B | ASN41 |
| B | THR44 |
| B | VAL47 |
| site_id | BC5 |
| Number of Residues | 25 |
| Details | BINDING SITE FOR RESIDUE NAD B 502 |
| Chain | Residue |
| B | ILE165 |
| B | ILE166 |
| B | PRO167 |
| B | TRP168 |
| B | LYS192 |
| B | ALA194 |
| B | GLU195 |
| B | GLN196 |
| B | GLY225 |
| B | GLY229 |
| B | ALA230 |
| B | PHE243 |
| B | GLY245 |
| B | SER246 |
| B | ILE249 |
| B | ILE253 |
| B | GLU268 |
| B | LEU269 |
| B | CYS302 |
| B | GLN349 |
| B | GLU399 |
| B | PHE401 |
| B | MG602 |
| B | HOH910 |
| B | HOH1922 |
| site_id | BC6 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE MG C 603 |
| Chain | Residue |
| C | HOH1286 |
| C | NAD503 |
| C | HOH1222 |
| site_id | BC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA C 703 |
| Chain | Residue |
| C | THR39 |
| C | VAL40 |
| C | ASP109 |
| C | GLN196 |
| C | HOH1718 |
| site_id | BC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GAI C 803 |
| Chain | Residue |
| C | GLU157 |
| C | PRO158 |
| C | VAL159 |
| C | HOH678 |
| C | HOH846 |
| D | TYR468 |
| site_id | BC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO C 903 |
| Chain | Residue |
| B | PHE151 |
| C | TYR153 |
| C | ARG155 |
| D | SER443 |
| site_id | CC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO C 913 |
| Chain | Residue |
| C | ASN41 |
| C | THR44 |
| C | GLU46 |
| C | LEU108 |
| C | HOH2127 |
| site_id | CC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO C 923 |
| Chain | Residue |
| C | PHE18 |
| C | TYR101 |
| C | TYR203 |
| C | HOH1464 |
| site_id | CC3 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO C 963 |
| Chain | Residue |
| C | GLU347 |
| C | PHE350 |
| F | GLY45 |
| site_id | CC4 |
| Number of Residues | 30 |
| Details | BINDING SITE FOR RESIDUE NAD C 503 |
| Chain | Residue |
| C | ILE165 |
| C | ILE166 |
| C | PRO167 |
| C | TRP168 |
| 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 | MG603 |
| C | HOH1222 |
| C | HOH1279 |
| C | HOH1286 |
| C | HOH1452 |
| C | HOH1602 |
| C | HOH2005 |
| site_id | CC5 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE MG D 604 |
| Chain | Residue |
| D | NAD504 |
| site_id | CC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA D 704 |
| Chain | Residue |
| D | THR39 |
| D | VAL40 |
| D | ASP109 |
| D | GLN196 |
| D | HOH2424 |
| site_id | CC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GAI D 804 |
| Chain | Residue |
| C | TYR468 |
| D | GLU157 |
| D | PRO158 |
| D | VAL159 |
| site_id | CC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GAI D 814 |
| Chain | Residue |
| C | VAL458 |
| C | PHE459 |
| D | ASP147 |
| D | PHE150 |
| site_id | CC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO D 904 |
| Chain | Residue |
| A | PHE151 |
| C | SER443 |
| D | TYR153 |
| D | ARG155 |
| D | HOH2650 |
| site_id | DC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO D 944 |
| Chain | Residue |
| D | GLU414 |
| D | VAL417 |
| D | TYR441 |
| G | LYS361 |
| G | HOH2498 |
| site_id | DC2 |
| Number of Residues | 30 |
| Details | BINDING SITE FOR RESIDUE NAD D 504 |
| Chain | Residue |
| D | ILE165 |
| D | ILE166 |
| D | PRO167 |
| D | TRP168 |
| D | ASN169 |
| D | LYS192 |
| D | ALA194 |
| D | GLU195 |
| D | GLN196 |
| 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 | HOH540 |
| D | MG604 |
| D | HOH767 |
| D | HOH1568 |
| D | HOH1917 |
| D | HOH2380 |
| site_id | DC3 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE MG E 605 |
| Chain | Residue |
| E | NAD505 |
| site_id | DC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA E 705 |
| Chain | Residue |
| E | THR39 |
| E | VAL40 |
| E | ASP109 |
| E | GLN196 |
| E | HOH1984 |
| site_id | DC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GAI E 805 |
| Chain | Residue |
| E | GLU157 |
| E | PRO158 |
| E | VAL159 |
| E | HOH692 |
| F | GLN447 |
| F | TYR468 |
| site_id | DC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GAI E 815 |
| Chain | Residue |
| E | ILE146 |
| E | ASP147 |
| E | PHE150 |
| F | PHE459 |
| site_id | DC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO E 905 |
| Chain | Residue |
| E | TYR153 |
| E | ARG155 |
| E | HOH1643 |
| F | SER443 |
| H | PHE151 |
| site_id | DC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO E 915 |
| Chain | Residue |
| E | ASN41 |
| E | THR44 |
| E | GLU46 |
| E | ILE48 |
| site_id | DC9 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO E 925 |
| Chain | Residue |
| E | PHE18 |
| E | TYR101 |
| E | TYR203 |
| site_id | EC1 |
| Number of Residues | 28 |
| Details | BINDING SITE FOR RESIDUE NAD E 505 |
| 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 | MG605 |
| E | HOH867 |
| E | HOH1014 |
| E | HOH1284 |
| E | HOH1324 |
| E | HOH1763 |
| site_id | EC2 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE MG F 606 |
| Chain | Residue |
| F | NAD506 |
| F | HOH2345 |
| site_id | EC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA F 706 |
| Chain | Residue |
| F | THR39 |
| F | VAL40 |
| F | ASP109 |
| F | GLN196 |
| F | HOH1585 |
| site_id | EC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GAI F 806 |
| Chain | Residue |
| E | TYR468 |
| F | GLU157 |
| F | PRO158 |
| F | VAL159 |
| F | HOH1990 |
| site_id | EC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GAI F 826 |
| Chain | Residue |
| F | ASP376 |
| F | GLY378 |
| F | EDO966 |
| F | HOH1836 |
| site_id | EC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO F 906 |
| Chain | Residue |
| E | SER443 |
| F | TYR153 |
| F | ARG155 |
| G | PHE151 |
| site_id | EC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO F 916 |
| Chain | Residue |
| F | ASN41 |
| F | THR44 |
| F | GLU46 |
| F | LEU108 |
| F | HOH2533 |
| site_id | EC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO F 926 |
| Chain | Residue |
| E | ARG321 |
| E | HOH1754 |
| F | TYR101 |
| F | TYR203 |
| F | HOH972 |
| site_id | EC9 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO F 946 |
| Chain | Residue |
| E | LEU72 |
| F | TYR441 |
| F | GLN444 |
| F | ALA445 |
| F | HOH884 |
| H | GLN497 |
| H | ASN499 |
| site_id | FC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO F 966 |
| Chain | Residue |
| C | GLY45 |
| F | GLU347 |
| F | PHE350 |
| F | GAI826 |
| site_id | FC2 |
| Number of Residues | 27 |
| Details | BINDING SITE FOR RESIDUE NAD F 506 |
| Chain | Residue |
| F | ILE165 |
| F | ILE166 |
| F | PRO167 |
| F | TRP168 |
| F | LYS192 |
| F | ALA194 |
| F | GLU195 |
| F | GLN196 |
| F | GLY225 |
| 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 | MG606 |
| F | HOH1145 |
| F | HOH1192 |
| F | HOH1853 |
| F | HOH2445 |
| site_id | FC3 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE MG G 607 |
| Chain | Residue |
| G | NAD507 |
| site_id | FC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA G 707 |
| Chain | Residue |
| G | THR39 |
| G | VAL40 |
| G | ASP109 |
| G | GLN196 |
| G | HOH2465 |
| site_id | FC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GAI G 807 |
| Chain | Residue |
| G | GLU157 |
| G | PRO158 |
| G | VAL159 |
| G | HOH738 |
| H | GLN447 |
| site_id | FC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GAI G 817 |
| Chain | Residue |
| G | ASP147 |
| G | GLY148 |
| G | PHE150 |
| H | VAL458 |
| H | PHE459 |
| site_id | FC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO G 907 |
| Chain | Residue |
| F | PHE151 |
| G | TYR153 |
| G | ARG155 |
| H | SER443 |
| site_id | FC8 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO G 917 |
| Chain | Residue |
| G | ASN41 |
| G | THR44 |
| G | GLU46 |
| site_id | FC9 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE EDO G 927 |
| Chain | Residue |
| G | TYR101 |
| G | TYR203 |
| site_id | GC1 |
| Number of Residues | 27 |
| Details | BINDING SITE FOR RESIDUE NAD G 507 |
| Chain | Residue |
| G | ILE165 |
| G | ILE166 |
| G | PRO167 |
| G | TRP168 |
| 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 | CYS302 |
| G | GLN349 |
| G | GLU399 |
| G | PHE401 |
| G | MG607 |
| G | HOH751 |
| G | HOH1520 |
| G | HOH1965 |
| G | HOH2225 |
| site_id | GC2 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE MG H 608 |
| Chain | Residue |
| H | NAD508 |
| site_id | GC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA H 708 |
| Chain | Residue |
| H | THR39 |
| H | VAL40 |
| H | ASP109 |
| H | GLN196 |
| H | HOH1571 |
| site_id | GC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GAI H 808 |
| Chain | Residue |
| G | TYR468 |
| H | GLU157 |
| H | PRO158 |
| H | VAL159 |
| site_id | GC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO H 908 |
| Chain | Residue |
| E | PHE151 |
| G | ASN440 |
| G | SER443 |
| H | TYR153 |
| H | ARG155 |
| site_id | GC6 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO H 928 |
| Chain | Residue |
| E | LYS361 |
| H | TYR101 |
| H | TYR203 |
| site_id | GC7 |
| Number of Residues | 26 |
| Details | BINDING SITE FOR RESIDUE NAD H 508 |
| Chain | Residue |
| H | ILE165 |
| H | ILE166 |
| H | PRO167 |
| H | TRP168 |
| 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 | LYS352 |
| H | GLU399 |
| H | PHE401 |
| H | MG608 |
| H | HOH1258 |
| H | HOH1261 |
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 | 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 |
