1O04
Cys302Ser mutant of human mitochondrial aldehyde dehydrogenase complexed with NAD+ 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 | 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 NA A 6601 |
| Chain | Residue |
| A | THR39 |
| A | VAL40 |
| A | ASP109 |
| A | GLN196 |
| A | HOH7169 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA B 6602 |
| Chain | Residue |
| B | HOH7433 |
| B | THR39 |
| B | VAL40 |
| B | ASP109 |
| B | GLN196 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA C 6603 |
| Chain | Residue |
| C | THR39 |
| C | VAL40 |
| C | ASP109 |
| C | GLN196 |
| C | HOH7317 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA D 6604 |
| Chain | Residue |
| D | THR39 |
| D | VAL40 |
| D | ASP109 |
| D | GLN196 |
| D | HOH7466 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA E 6605 |
| Chain | Residue |
| E | THR39 |
| E | VAL40 |
| E | ASP109 |
| E | GLN196 |
| E | HOH3885 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA F 6606 |
| Chain | Residue |
| F | THR39 |
| F | VAL40 |
| F | ASP109 |
| F | GLN196 |
| F | HOH2809 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA G 6607 |
| Chain | Residue |
| G | THR39 |
| G | VAL40 |
| G | ASP109 |
| G | GLN196 |
| G | HOH3200 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA H 6608 |
| Chain | Residue |
| H | THR39 |
| H | VAL40 |
| H | ASP109 |
| H | GLN196 |
| H | HOH4701 |
| site_id | AC9 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG A 6701 |
| Chain | Residue |
| A | NAD6501 |
| A | HOH7058 |
| A | HOH7059 |
| A | HOH7060 |
| A | HOH7062 |
| A | HOH7257 |
| site_id | BC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG B 6702 |
| Chain | Residue |
| B | NAD6502 |
| B | HOH7011 |
| B | HOH7013 |
| B | HOH7191 |
| B | HOH7194 |
| B | HOH7430 |
| site_id | BC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG C 6703 |
| Chain | Residue |
| C | NAD6503 |
| C | HOH7000 |
| C | HOH7220 |
| C | HOH7221 |
| C | HOH7223 |
| C | HOH7257 |
| site_id | BC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG D 6704 |
| Chain | Residue |
| D | NAD6504 |
| D | HOH7069 |
| D | HOH7070 |
| D | HOH7072 |
| D | HOH7447 |
| D | HOH7531 |
| site_id | BC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG E 6705 |
| Chain | Residue |
| E | HOH2627 |
| E | HOH2628 |
| E | HOH2631 |
| E | HOH2632 |
| E | HOH4785 |
| E | NAD6505 |
| site_id | BC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG F 6706 |
| Chain | Residue |
| F | HOH2813 |
| F | HOH2814 |
| F | HOH2815 |
| F | HOH2833 |
| F | HOH2834 |
| F | NAD6506 |
| site_id | BC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG G 6707 |
| Chain | Residue |
| G | HOH3209 |
| G | HOH3210 |
| G | HOH4359 |
| G | HOH4360 |
| G | HOH4361 |
| G | NAD6507 |
| site_id | BC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG H 6708 |
| Chain | Residue |
| H | HOH2227 |
| H | HOH2228 |
| H | HOH2230 |
| H | HOH2231 |
| H | HOH2235 |
| H | NAD6508 |
| site_id | BC8 |
| Number of Residues | 36 |
| Details | BINDING SITE FOR RESIDUE NAD A 6501 |
| Chain | Residue |
| A | THR244 |
| A | GLY245 |
| A | SER246 |
| A | ILE249 |
| A | ILE253 |
| A | GLU268 |
| A | LEU269 |
| A | GLY270 |
| A | SER302 |
| A | GLU399 |
| A | PHE401 |
| A | PHE465 |
| A | MG6701 |
| A | HOH7045 |
| A | HOH7058 |
| A | HOH7060 |
| A | HOH7061 |
| A | HOH7062 |
| A | HOH7063 |
| A | HOH7064 |
| A | HOH7159 |
| A | HOH7257 |
| A | HOH7259 |
| A | HOH7507 |
| A | HOH7508 |
| A | ILE165 |
| A | ILE166 |
| A | PRO167 |
| A | TRP168 |
| A | ASN169 |
| A | LYS192 |
| A | GLU195 |
| A | GLY225 |
| A | GLY229 |
| A | ALA230 |
| A | PHE243 |
| site_id | BC9 |
| Number of Residues | 35 |
| Details | BINDING SITE FOR RESIDUE NAD B 6502 |
| Chain | Residue |
| B | ILE165 |
| B | ILE166 |
| B | PRO167 |
| B | TRP168 |
| B | ASN169 |
| B | LYS192 |
| B | GLU195 |
| B | GLY225 |
| B | GLY229 |
| B | ALA230 |
| B | PHE243 |
| B | THR244 |
| B | GLY245 |
| B | SER246 |
| B | ILE249 |
| B | ILE253 |
| B | GLU268 |
| B | LEU269 |
| B | GLY270 |
| B | SER302 |
| B | GLU399 |
| B | PHE401 |
| B | PHE465 |
| B | MG6702 |
| B | HOH6966 |
| B | HOH7011 |
| B | HOH7012 |
| B | HOH7013 |
| B | HOH7184 |
| B | HOH7189 |
| B | HOH7190 |
| B | HOH7191 |
| B | HOH7194 |
| B | HOH7195 |
| B | HOH7453 |
| site_id | CC1 |
| Number of Residues | 35 |
| Details | BINDING SITE FOR RESIDUE NAD C 6503 |
| Chain | Residue |
| C | ILE165 |
| C | ILE166 |
| C | PRO167 |
| C | TRP168 |
| C | ASN169 |
| C | LYS192 |
| C | GLU195 |
| C | GLY225 |
| C | GLY229 |
| C | ALA230 |
| C | PHE243 |
| C | THR244 |
| C | GLY245 |
| C | SER246 |
| C | ILE249 |
| C | ILE253 |
| C | GLU268 |
| C | LEU269 |
| C | GLY270 |
| C | SER302 |
| C | GLU399 |
| C | PHE401 |
| C | PHE465 |
| C | MG6703 |
| C | HOH6999 |
| C | HOH7000 |
| C | HOH7221 |
| C | HOH7222 |
| C | HOH7223 |
| C | HOH7242 |
| C | HOH7244 |
| C | HOH7256 |
| C | HOH7257 |
| C | HOH7501 |
| C | HOH7504 |
| site_id | CC2 |
| Number of Residues | 36 |
| Details | BINDING SITE FOR RESIDUE NAD D 6504 |
| 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 | THR244 |
| D | GLY245 |
| D | SER246 |
| D | ILE249 |
| D | ILE253 |
| D | GLU268 |
| D | LEU269 |
| D | GLY270 |
| D | SER302 |
| D | GLU399 |
| D | PHE401 |
| D | PHE465 |
| D | MG6704 |
| D | HOH7067 |
| D | HOH7068 |
| D | HOH7069 |
| D | HOH7072 |
| D | HOH7073 |
| D | HOH7074 |
| D | HOH7076 |
| D | HOH7440 |
| D | HOH7447 |
| D | HOH7448 |
| D | HOH7525 |
| D | HOH7531 |
| site_id | CC3 |
| Number of Residues | 37 |
| Details | BINDING SITE FOR RESIDUE NAD E 6505 |
| Chain | Residue |
| E | ILE165 |
| E | ILE166 |
| E | PRO167 |
| E | TRP168 |
| E | ASN169 |
| E | LYS192 |
| E | ALA194 |
| E | GLU195 |
| E | GLY225 |
| E | GLY229 |
| E | ALA230 |
| E | PHE243 |
| E | THR244 |
| E | GLY245 |
| E | SER246 |
| E | ILE249 |
| E | ILE253 |
| E | GLU268 |
| E | LEU269 |
| E | GLY270 |
| E | SER302 |
| E | GLU399 |
| E | PHE401 |
| E | PHE465 |
| E | HOH2625 |
| E | HOH2626 |
| E | HOH2627 |
| E | HOH2630 |
| E | HOH2631 |
| E | HOH2632 |
| E | HOH2866 |
| E | HOH2871 |
| E | HOH3894 |
| E | HOH4784 |
| E | HOH4785 |
| E | HOH4814 |
| E | MG6705 |
| site_id | CC4 |
| Number of Residues | 36 |
| Details | BINDING SITE FOR RESIDUE NAD F 6506 |
| Chain | Residue |
| F | ILE165 |
| F | ILE166 |
| F | PRO167 |
| F | TRP168 |
| F | ASN169 |
| F | LYS192 |
| F | GLU195 |
| F | GLY225 |
| F | GLY229 |
| F | ALA230 |
| F | PHE243 |
| F | THR244 |
| F | GLY245 |
| F | SER246 |
| F | ILE249 |
| F | ILE253 |
| F | GLU268 |
| F | LEU269 |
| F | GLY270 |
| F | SER302 |
| F | GLU399 |
| F | PHE401 |
| F | PHE465 |
| F | HOH2814 |
| F | HOH2815 |
| F | HOH2833 |
| F | HOH2834 |
| F | HOH2835 |
| F | HOH2837 |
| F | HOH2838 |
| F | HOH2841 |
| F | HOH3074 |
| F | HOH3080 |
| F | HOH4917 |
| F | HOH4945 |
| F | MG6706 |
| site_id | CC5 |
| Number of Residues | 36 |
| Details | BINDING SITE FOR RESIDUE NAD G 6507 |
| Chain | Residue |
| G | ILE165 |
| G | ILE166 |
| G | PRO167 |
| G | TRP168 |
| G | ASN169 |
| G | LYS192 |
| G | GLU195 |
| G | GLY225 |
| G | GLY229 |
| G | ALA230 |
| G | PHE243 |
| G | THR244 |
| G | GLY245 |
| G | SER246 |
| G | ILE249 |
| G | ILE253 |
| G | GLU268 |
| G | LEU269 |
| G | GLY270 |
| G | SER302 |
| G | GLU399 |
| G | PHE401 |
| G | PHE465 |
| G | HOH3209 |
| G | HOH3210 |
| G | HOH3211 |
| G | HOH3212 |
| G | HOH3227 |
| G | HOH4358 |
| G | HOH4359 |
| G | HOH4361 |
| G | HOH4362 |
| G | HOH4509 |
| G | HOH4654 |
| G | HOH4688 |
| G | MG6707 |
| site_id | CC6 |
| Number of Residues | 35 |
| Details | BINDING SITE FOR RESIDUE NAD H 6508 |
| Chain | Residue |
| H | ILE165 |
| H | ILE166 |
| H | PRO167 |
| H | TRP168 |
| H | ASN169 |
| H | LYS192 |
| H | GLU195 |
| H | GLY225 |
| H | GLY229 |
| H | ALA230 |
| H | PHE243 |
| H | THR244 |
| H | GLY245 |
| H | SER246 |
| H | ILE249 |
| H | ILE253 |
| H | GLU268 |
| H | LEU269 |
| H | GLY270 |
| H | SER302 |
| H | GLU399 |
| H | PHE401 |
| H | PHE465 |
| H | HOH2227 |
| H | HOH2228 |
| H | HOH2231 |
| H | HOH2232 |
| H | HOH2235 |
| H | HOH2236 |
| H | HOH2237 |
| H | HOH4314 |
| H | HOH4682 |
| H | HOH4685 |
| H | HOH4743 |
| H | MG6708 |
| site_id | CC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GAI A 6801 |
| Chain | Residue |
| A | GLU157 |
| A | PRO158 |
| A | VAL159 |
| A | HOH7072 |
| B | TYR468 |
| site_id | CC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GAI A 6811 |
| Chain | Residue |
| A | ILE146 |
| A | ASP147 |
| A | PHE150 |
| A | HOH7138 |
| B | PHE459 |
| B | HOH7147 |
| site_id | CC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GAI B 6802 |
| Chain | Residue |
| A | TYR468 |
| B | GLU157 |
| B | PRO158 |
| B | VAL159 |
| B | HOH7265 |
| site_id | DC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GAI B 6812 |
| Chain | Residue |
| A | VAL458 |
| A | PHE459 |
| A | HOH7185 |
| B | ILE146 |
| B | ASP147 |
| B | PHE150 |
| B | HOH7128 |
| site_id | DC2 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GAI C 6803 |
| Chain | Residue |
| C | PHE70 |
| C | GLU157 |
| C | PRO158 |
| C | VAL159 |
| C | HOH7072 |
| C | HOH7073 |
| C | HOH7451 |
| D | TYR468 |
| site_id | DC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GAI C 6813 |
| Chain | Residue |
| C | ILE146 |
| C | ASP147 |
| C | PHE150 |
| C | HOH6969 |
| D | VAL458 |
| D | PHE459 |
| site_id | DC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GAI C 6823 |
| Chain | Residue |
| C | PHE350 |
| C | ILE373 |
| C | ALA375 |
| C | ASP376 |
| C | GLY378 |
| C | EDO6963 |
| C | HOH7203 |
| site_id | DC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GAI D 6804 |
| Chain | Residue |
| C | TYR468 |
| D | GLU157 |
| D | PRO158 |
| D | VAL159 |
| D | HOH7111 |
| site_id | DC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GAI D 6814 |
| Chain | Residue |
| C | PHE459 |
| C | HOH7527 |
| D | ILE146 |
| D | ASP147 |
| D | PHE150 |
| D | HOH7239 |
| site_id | DC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GAI E 6805 |
| Chain | Residue |
| E | GLU157 |
| E | PRO158 |
| E | VAL159 |
| E | HOH2569 |
| E | HOH4541 |
| site_id | DC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GAI E 6815 |
| Chain | Residue |
| E | ILE146 |
| E | ASP147 |
| E | PHE150 |
| E | HOH2357 |
| F | PHE459 |
| F | HOH3085 |
| site_id | DC9 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GAI F 6806 |
| Chain | Residue |
| E | TYR468 |
| F | GLU157 |
| F | PRO158 |
| F | VAL159 |
| F | HOH4222 |
| F | HOH4303 |
| F | HOH4304 |
| site_id | EC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GAI F 6816 |
| Chain | Residue |
| E | PHE459 |
| E | HOH4761 |
| F | ILE146 |
| F | ASP147 |
| F | PHE150 |
| F | HOH2606 |
| site_id | EC2 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GAI F 6826 |
| Chain | Residue |
| F | PHE350 |
| F | ILE373 |
| F | ALA375 |
| F | ASP376 |
| F | GLY378 |
| F | HOH2777 |
| F | HOH2779 |
| F | EDO6966 |
| site_id | EC3 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GAI G 6807 |
| Chain | Residue |
| G | PHE70 |
| G | GLU157 |
| G | PRO158 |
| G | VAL159 |
| G | HOH3302 |
| G | HOH3303 |
| G | HOH4755 |
| H | TYR468 |
| site_id | EC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GAI G 6817 |
| Chain | Residue |
| G | ILE146 |
| G | ASP147 |
| G | PHE150 |
| G | HOH2726 |
| G | HOH4157 |
| G | HOH4309 |
| H | PHE459 |
| site_id | EC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GAI H 6808 |
| Chain | Residue |
| G | TYR468 |
| H | PHE70 |
| H | GLU157 |
| H | PRO158 |
| H | VAL159 |
| H | HOH3996 |
| site_id | EC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GAI H 6818 |
| Chain | Residue |
| G | PHE459 |
| G | HOH4513 |
| H | ILE146 |
| H | ASP147 |
| H | PHE150 |
| H | HOH3013 |
| site_id | EC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO A 6901 |
| Chain | Residue |
| A | TYR153 |
| A | ARG155 |
| A | HOH7127 |
| B | SER443 |
| D | PHE151 |
| site_id | EC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO A 6911 |
| Chain | Residue |
| A | GLN14 |
| A | ASN41 |
| A | THR44 |
| A | GLU46 |
| A | HOH6983 |
| site_id | EC9 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO A 6921 |
| Chain | Residue |
| A | PHE18 |
| A | TYR203 |
| A | HOH6966 |
| site_id | FC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO A 6941 |
| Chain | Residue |
| A | TYR441 |
| A | GLN444 |
| A | ALA445 |
| A | HOH7090 |
| B | LEU72 |
| C | GLN497 |
| C | HOH7063 |
| site_id | FC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO B 6902 |
| Chain | Residue |
| A | SER443 |
| B | TYR153 |
| B | ARG155 |
| B | HOH7271 |
| C | PHE151 |
| site_id | FC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO B 6912 |
| Chain | Residue |
| B | GLN14 |
| B | ASN41 |
| B | THR44 |
| B | LEU108 |
| B | HOH7321 |
| B | HOH7539 |
| site_id | FC4 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE EDO B 6922 |
| Chain | Residue |
| B | ARG97 |
| B | ASP98 |
| B | THR100 |
| B | TYR101 |
| B | HOH7348 |
| B | HOH7350 |
| E | ALA7 |
| E | HOH3841 |
| E | HOH4765 |
| site_id | FC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO B 6942 |
| Chain | Residue |
| A | LEU72 |
| B | TYR441 |
| B | GLN444 |
| B | ALA445 |
| B | HOH6951 |
| D | GLN497 |
| D | HOH7253 |
| site_id | FC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO C 6903 |
| Chain | Residue |
| B | PHE151 |
| C | TYR153 |
| C | ARG155 |
| C | HOH7453 |
| D | SER443 |
| site_id | FC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO C 6913 |
| Chain | Residue |
| C | ASN41 |
| C | THR44 |
| C | GLU46 |
| C | LEU108 |
| C | HOH7328 |
| C | HOH7329 |
| site_id | FC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO C 6923 |
| Chain | Residue |
| C | PHE18 |
| C | TYR101 |
| C | TYR203 |
| C | HOH7484 |
| C | HOH7485 |
| site_id | FC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO C 6943 |
| Chain | Residue |
| A | GLN497 |
| C | TYR441 |
| C | GLN444 |
| C | ALA445 |
| D | LEU72 |
| site_id | GC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO C 6963 |
| Chain | Residue |
| C | GLU347 |
| C | PHE350 |
| C | GAI6823 |
| C | HOH7203 |
| F | GLY45 |
| site_id | GC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO D 6904 |
| Chain | Residue |
| A | PHE151 |
| C | SER443 |
| D | TYR153 |
| D | ARG155 |
| D | HOH7419 |
| site_id | GC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO D 6914 |
| Chain | Residue |
| D | ASN41 |
| D | THR44 |
| D | GLU46 |
| D | HOH6951 |
| D | HOH6952 |
| H | GLU46 |
| site_id | GC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO D 6944 |
| Chain | Residue |
| D | GLU414 |
| D | TYR441 |
| D | HOH7193 |
| D | HOH7198 |
| D | HOH7292 |
| G | LYS361 |
| site_id | GC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO E 6905 |
| Chain | Residue |
| E | TYR153 |
| E | ARG155 |
| F | SER443 |
| H | PHE151 |
| site_id | GC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO E 6915 |
| Chain | Residue |
| E | GLN14 |
| E | ASN41 |
| E | THR44 |
| E | LEU108 |
| site_id | GC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO E 6925 |
| Chain | Residue |
| E | PHE18 |
| E | TYR101 |
| E | TYR203 |
| E | HOH3847 |
| E | HOH4623 |
| site_id | GC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO F 6906 |
| Chain | Residue |
| E | SER443 |
| F | TYR153 |
| F | ARG155 |
| G | PHE151 |
| site_id | GC9 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO F 6916 |
| Chain | Residue |
| F | ASN41 |
| F | THR44 |
| F | GLU46 |
| F | ILE48 |
| F | LEU108 |
| F | HOH2762 |
| F | HOH2763 |
| site_id | HC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO F 6926 |
| Chain | Residue |
| E | HOH3765 |
| E | HOH3766 |
| F | PHE18 |
| F | TYR101 |
| F | TYR203 |
| F | HOH2416 |
| F | HOH4269 |
| site_id | HC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO F 6946 |
| Chain | Residue |
| E | LEU72 |
| F | TYR441 |
| F | GLN444 |
| F | ALA445 |
| H | GLN497 |
| site_id | HC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO F 6956 |
| Chain | Residue |
| B | HOH7527 |
| F | ALA68 |
| F | SER74 |
| F | HOH2706 |
| site_id | HC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO F 6966 |
| Chain | Residue |
| C | GLY45 |
| F | GLU347 |
| F | HOH2777 |
| F | GAI6826 |
| site_id | HC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO G 6907 |
| Chain | Residue |
| F | PHE151 |
| G | TYR153 |
| G | ARG155 |
| G | HOH3827 |
| H | SER443 |
| site_id | HC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO G 6917 |
| Chain | Residue |
| G | ASN41 |
| G | THR44 |
| G | GLU46 |
| G | HOH3185 |
| site_id | HC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO G 6927 |
| Chain | Residue |
| G | PHE18 |
| G | TYR101 |
| G | TYR203 |
| G | HOH2948 |
| G | HOH2949 |
| G | HOH3180 |
| site_id | HC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO H 6908 |
| Chain | Residue |
| E | PHE151 |
| G | SER443 |
| H | TYR153 |
| H | ARG155 |
| H | HOH4030 |
| site_id | HC9 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE EDO H 6918 |
| Chain | Residue |
| D | GLU46 |
| D | ARG377 |
| H | ASN41 |
| H | THR44 |
| H | GLU46 |
| H | HOH3651 |
| H | HOH3653 |
| H | HOH3655 |
| site_id | IC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO H 6928 |
| Chain | Residue |
| E | LYS361 |
| H | PHE18 |
| H | TYR101 |
| H | TYR203 |
| H | HOH2278 |
| site_id | IC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO H 6948 |
| Chain | Residue |
| F | GLN497 |
| G | LEU72 |
| H | TYR441 |
| H | GLN444 |
| H | ALA445 |
Functional Information from PROSITE/UniProt
| 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 | 4 |
| Details | a catalytic site defined by CSA, PubMed 7873540, 7819202, 9228057, 9228056 |
| Chain | Residue | Details |
| A | SER302 | |
| A | LYS192 | |
| A | GLU268 | |
| A | GLU399 |
| site_id | CSA2 |
| Number of Residues | 4 |
| Details | a catalytic site defined by CSA, PubMed 7873540, 7819202, 9228057, 9228056 |
| Chain | Residue | Details |
| B | SER302 | |
| B | LYS192 | |
| B | GLU268 | |
| B | GLU399 |
| site_id | CSA3 |
| Number of Residues | 4 |
| Details | a catalytic site defined by CSA, PubMed 7873540, 7819202, 9228057, 9228056 |
| Chain | Residue | Details |
| C | SER302 | |
| C | LYS192 | |
| C | GLU268 | |
| C | GLU399 |
| site_id | CSA4 |
| Number of Residues | 4 |
| Details | a catalytic site defined by CSA, PubMed 7873540, 7819202, 9228057, 9228056 |
| Chain | Residue | Details |
| D | SER302 | |
| D | LYS192 | |
| D | GLU268 | |
| D | GLU399 |
| site_id | CSA5 |
| Number of Residues | 4 |
| Details | a catalytic site defined by CSA, PubMed 7873540, 7819202, 9228057, 9228056 |
| Chain | Residue | Details |
| E | SER302 | |
| E | LYS192 | |
| E | GLU268 | |
| E | GLU399 |
| site_id | CSA6 |
| Number of Residues | 4 |
| Details | a catalytic site defined by CSA, PubMed 7873540, 7819202, 9228057, 9228056 |
| Chain | Residue | Details |
| F | SER302 | |
| F | LYS192 | |
| F | GLU268 | |
| F | GLU399 |
| site_id | CSA7 |
| Number of Residues | 4 |
| Details | a catalytic site defined by CSA, PubMed 7873540, 7819202, 9228057, 9228056 |
| Chain | Residue | Details |
| G | SER302 | |
| G | LYS192 | |
| G | GLU268 | |
| G | GLU399 |
| site_id | CSA8 |
| Number of Residues | 4 |
| Details | a catalytic site defined by CSA, PubMed 7873540, 7819202, 9228057, 9228056 |
| Chain | Residue | Details |
| H | SER302 | |
| H | LYS192 | |
| H | GLU268 | |
| H | 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 | SER302 | 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 | SER302 | 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 | SER302 | 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 | SER302 | 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 | SER302 | 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 | SER302 | 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 | SER302 | 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 | SER302 | covalently attached, electrostatic stabiliser, nucleofuge, nucleophile, proton acceptor, proton donor |
| H | GLU399 | electrostatic stabiliser |
