3N80
Human mitochondrial aldehyde dehydrogenase, apo form
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 | 6 |
| Details | BINDING SITE FOR RESIDUE GAI A 801 |
| Chain | Residue |
| A | GLU157 |
| A | PRO158 |
| A | VAL159 |
| A | HOH618 |
| A | HOH619 |
| B | TYR468 |
| site_id | AC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GAI A 811 |
| Chain | Residue |
| A | HOH1033 |
| A | HOH1034 |
| B | VAL458 |
| B | PHE459 |
| A | ILE146 |
| A | ASP147 |
| A | PHE150 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GAI A 812 |
| Chain | Residue |
| A | PHE459 |
| A | HOH708 |
| A | HOH1119 |
| B | ILE146 |
| B | ASP147 |
| B | PHE150 |
| 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 | 6 |
| Details | BINDING SITE FOR RESIDUE EDO A 910 |
| Chain | Residue |
| A | HIS140 |
| A | GLY141 |
| A | LYS142 |
| D | HIS140 |
| D | GLY141 |
| D | LYS142 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO A 911 |
| Chain | Residue |
| A | GLN14 |
| A | ASN41 |
| A | THR44 |
| A | GLU46 |
| A | LEU108 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO A 921 |
| Chain | Residue |
| A | PHE18 |
| A | TYR101 |
| A | TYR203 |
| A | HOH522 |
| A | HOH525 |
| site_id | AC8 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO A 941 |
| Chain | Residue |
| A | TYR441 |
| A | GLN444 |
| A | ALA445 |
| A | HOH519 |
| A | HOH549 |
| B | LEU72 |
| C | GLN497 |
| site_id | AC9 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE NA B 602 |
| Chain | Residue |
| B | THR39 |
| B | VAL40 |
| B | ASP109 |
| B | GLN196 |
| B | HOH578 |
| B | HOH1635 |
| site_id | BC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GAI B 802 |
| Chain | Residue |
| A | TYR468 |
| B | PHE70 |
| B | GLU157 |
| B | PRO158 |
| B | VAL159 |
| B | HOH1309 |
| B | HOH1316 |
| site_id | BC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO B 902 |
| Chain | Residue |
| A | SER443 |
| B | TYR153 |
| B | ARG155 |
| B | HOH1318 |
| C | PHE151 |
| site_id | BC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO B 909 |
| Chain | Residue |
| B | HIS140 |
| B | GLY141 |
| B | LYS142 |
| C | HIS140 |
| C | GLY141 |
| C | LYS142 |
| site_id | BC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO B 912 |
| Chain | Residue |
| B | GLN14 |
| B | ASN41 |
| B | THR44 |
| B | LEU108 |
| B | HOH1439 |
| site_id | BC5 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE EDO B 922 |
| Chain | Residue |
| B | ARG97 |
| B | ASP98 |
| B | THR100 |
| B | TYR101 |
| B | HOH1464 |
| B | HOH1466 |
| E | ALA7 |
| E | HOH3463 |
| E | HOH4303 |
| site_id | BC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO B 942 |
| Chain | Residue |
| B | TYR441 |
| B | GLN444 |
| B | ALA445 |
| B | HOH519 |
| B | HOH748 |
| D | GLN497 |
| site_id | BC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA C 603 |
| Chain | Residue |
| C | THR39 |
| C | VAL40 |
| C | ASP109 |
| C | GLN196 |
| C | HOH606 |
| site_id | BC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GAI C 803 |
| Chain | Residue |
| C | HOH617 |
| D | TYR468 |
| C | GLU157 |
| C | PRO158 |
| C | VAL159 |
| C | HOH616 |
| site_id | BC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GAI C 813 |
| Chain | Residue |
| C | ILE146 |
| C | ASP147 |
| C | PHE150 |
| C | HOH506 |
| D | PHE459 |
| site_id | CC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GAI C 823 |
| Chain | Residue |
| C | PHE350 |
| C | ILE373 |
| C | ALA375 |
| C | ASP376 |
| C | GLY378 |
| C | EDO963 |
| C | HOH4557 |
| site_id | CC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO C 903 |
| Chain | Residue |
| B | PHE151 |
| C | TYR153 |
| C | ARG155 |
| C | HOH1555 |
| D | SER443 |
| site_id | CC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO C 913 |
| Chain | Residue |
| C | ASN41 |
| C | THR44 |
| C | LEU108 |
| C | HOH954 |
| C | HOH955 |
| site_id | CC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO C 923 |
| Chain | Residue |
| C | PHE18 |
| C | TYR101 |
| C | TYR203 |
| C | HOH1751 |
| C | HOH4659 |
| site_id | CC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO C 943 |
| Chain | Residue |
| A | GLN497 |
| C | TYR441 |
| C | GLN444 |
| C | ALA445 |
| C | HOH597 |
| C | HOH1399 |
| D | LEU72 |
| site_id | CC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO C 963 |
| Chain | Residue |
| C | GLU347 |
| C | PHE350 |
| C | GAI823 |
| C | HOH4557 |
| F | GLY45 |
| site_id | CC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA D 604 |
| Chain | Residue |
| D | THR39 |
| D | VAL40 |
| D | ASP109 |
| D | GLN196 |
| D | HOH3100 |
| site_id | CC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GAI D 804 |
| Chain | Residue |
| C | TYR468 |
| D | GLU157 |
| D | PRO158 |
| D | VAL159 |
| D | HOH746 |
| D | HOH756 |
| site_id | CC9 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GAI D 814 |
| Chain | Residue |
| C | PHE459 |
| D | ILE146 |
| D | ASP147 |
| D | PHE150 |
| D | HOH728 |
| D | HOH1790 |
| site_id | DC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GAI D 833 |
| Chain | Residue |
| D | GLN14 |
| D | PRO15 |
| D | LEU108 |
| D | HOH507 |
| D | HOH508 |
| D | HOH509 |
| H | HOH3296 |
| site_id | DC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO D 904 |
| Chain | Residue |
| A | PHE151 |
| C | SER443 |
| D | TYR153 |
| D | ARG155 |
| D | HOH3044 |
| site_id | DC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO D 914 |
| Chain | Residue |
| D | ASN41 |
| D | THR44 |
| D | GLU46 |
| D | HOH508 |
| D | HOH509 |
| H | GLU46 |
| site_id | DC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO D 944 |
| Chain | Residue |
| D | GLU414 |
| D | TYR441 |
| D | HOH611 |
| D | HOH658 |
| D | HOH1158 |
| G | LYS361 |
| site_id | DC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA E 605 |
| Chain | Residue |
| E | THR39 |
| E | VAL40 |
| E | ASP109 |
| E | GLN196 |
| E | HOH3502 |
| site_id | DC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GAI E 805 |
| Chain | Residue |
| E | PHE70 |
| E | GLU157 |
| E | PRO158 |
| E | VAL159 |
| E | HOH4095 |
| F | TYR468 |
| site_id | DC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GAI E 815 |
| Chain | Residue |
| E | ILE146 |
| E | ASP147 |
| E | PHE150 |
| E | HOH2116 |
| F | PHE459 |
| F | HOH2775 |
| site_id | DC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO E 905 |
| Chain | Residue |
| E | TYR153 |
| E | ARG155 |
| E | HOH4165 |
| F | SER443 |
| H | PHE151 |
| site_id | DC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO E 915 |
| Chain | Residue |
| E | GLN14 |
| E | ASN41 |
| E | THR44 |
| E | GLU46 |
| E | LEU108 |
| site_id | EC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO E 920 |
| Chain | Residue |
| E | HIS140 |
| E | GLY141 |
| E | LYS142 |
| H | HIS140 |
| H | GLY141 |
| H | LYS142 |
| site_id | EC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO E 925 |
| Chain | Residue |
| E | PHE18 |
| E | TYR101 |
| E | TYR203 |
| E | HOH3469 |
| site_id | EC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA F 606 |
| Chain | Residue |
| F | THR39 |
| F | VAL40 |
| F | ASP109 |
| F | GLN196 |
| F | HOH3832 |
| site_id | EC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GAI F 806 |
| Chain | Residue |
| E | TYR468 |
| F | GLU157 |
| F | PRO158 |
| F | VAL159 |
| F | HOH3882 |
| F | HOH3883 |
| site_id | EC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GAI F 816 |
| Chain | Residue |
| E | PHE459 |
| E | HOH4299 |
| F | ILE146 |
| F | ASP147 |
| F | PHE150 |
| F | HOH2347 |
| site_id | EC6 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GAI F 826 |
| Chain | Residue |
| F | PHE350 |
| F | ILE373 |
| F | ALA375 |
| F | ASP376 |
| F | GLY378 |
| F | EDO966 |
| F | HOH2504 |
| site_id | EC7 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GAI F 839 |
| Chain | Residue |
| F | ALA326 |
| F | LYS327 |
| F | ARG329 |
| F | VAL331 |
| F | PRO383 |
| F | HOH2185 |
| F | HOH2186 |
| F | HOH4668 |
| F | HOH4795 |
| site_id | EC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO F 906 |
| Chain | Residue |
| E | SER443 |
| F | TYR153 |
| F | ARG155 |
| F | HOH3874 |
| G | PHE151 |
| site_id | EC9 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO F 916 |
| Chain | Residue |
| F | ASN41 |
| F | THR44 |
| F | GLU46 |
| F | LEU108 |
| F | HOH2489 |
| F | HOH2490 |
| site_id | FC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO F 919 |
| Chain | Residue |
| F | HIS140 |
| F | GLY141 |
| F | LYS142 |
| G | HIS140 |
| G | GLY141 |
| G | LYS142 |
| site_id | FC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO F 926 |
| Chain | Residue |
| E | ARG321 |
| E | HOH3393 |
| E | HOH3394 |
| F | TYR101 |
| F | TYR203 |
| F | HOH2173 |
| F | HOH3848 |
| site_id | FC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO F 946 |
| Chain | Residue |
| E | LEU72 |
| F | TYR441 |
| F | GLN444 |
| F | ALA445 |
| F | HOH2734 |
| F | HOH2735 |
| H | GLN497 |
| site_id | FC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO F 956 |
| Chain | Residue |
| B | HOH3215 |
| F | ALA68 |
| F | SER74 |
| F | HOH2437 |
| site_id | FC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO F 966 |
| Chain | Residue |
| C | GLY45 |
| F | GLU347 |
| F | GAI826 |
| F | HOH2504 |
| site_id | FC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA G 607 |
| Chain | Residue |
| G | THR39 |
| G | VAL40 |
| G | ASP109 |
| G | GLN196 |
| G | HOH2861 |
| site_id | FC7 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GAI G 807 |
| Chain | Residue |
| G | PHE70 |
| G | GLU157 |
| G | PRO158 |
| G | VAL159 |
| G | HOH2959 |
| G | HOH2960 |
| G | HOH4293 |
| H | TYR468 |
| site_id | FC8 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GAI G 817 |
| Chain | Residue |
| G | ILE146 |
| G | ASP147 |
| G | PHE150 |
| G | HOH3741 |
| G | HOH3888 |
| H | VAL458 |
| H | PHE459 |
| site_id | FC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GAI G 838 |
| Chain | Residue |
| G | ALA326 |
| G | LYS327 |
| G | ARG329 |
| G | PRO383 |
| G | HOH2832 |
| site_id | GC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO G 907 |
| Chain | Residue |
| F | PHE151 |
| G | TYR153 |
| G | ARG155 |
| G | HOH3449 |
| H | SER443 |
| site_id | GC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO G 917 |
| Chain | Residue |
| G | ASN41 |
| G | THR44 |
| G | GLU46 |
| site_id | GC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO G 927 |
| Chain | Residue |
| G | PHE18 |
| G | TYR101 |
| G | TYR203 |
| G | HOH2647 |
| G | HOH2856 |
| site_id | GC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE NA H 608 |
| Chain | Residue |
| H | THR39 |
| H | VAL40 |
| H | ASP109 |
| H | GLN196 |
| H | HOH4242 |
| H | HOH4243 |
| site_id | GC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG H 609 |
| Chain | Residue |
| D | HOH502 |
| H | THR36 |
| H | HOH1976 |
| H | HOH1978 |
| H | HOH1979 |
| site_id | GC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GAI H 808 |
| Chain | Residue |
| H | PHE70 |
| H | GLU157 |
| H | PRO158 |
| H | VAL159 |
| H | HOH3602 |
| H | HOH4209 |
| site_id | GC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GAI H 818 |
| Chain | Residue |
| G | PHE459 |
| G | HOH4070 |
| H | ILE146 |
| H | ASP147 |
| H | PHE150 |
| site_id | GC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO H 908 |
| Chain | Residue |
| E | PHE151 |
| G | SER443 |
| H | TYR153 |
| H | ARG155 |
| H | HOH3634 |
| site_id | GC9 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE EDO H 918 |
| Chain | Residue |
| D | GLU46 |
| D | ARG377 |
| H | ASN41 |
| H | THR44 |
| H | GLU46 |
| H | HOH3290 |
| H | HOH3292 |
| H | HOH3294 |
| site_id | HC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO H 928 |
| Chain | Residue |
| E | LYS361 |
| E | HOH3327 |
| H | PHE18 |
| H | TYR101 |
| H | TYR203 |
| H | HOH2038 |
| site_id | HC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO H 948 |
| Chain | Residue |
| F | GLN497 |
| G | LEU72 |
| H | TYR441 |
| H | GLN444 |
| H | ALA445 |
| H | HOH3409 |
| H | HOH4298 |
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 | CYS303 | covalently attached, electrostatic stabiliser, nucleofuge, nucleophile, proton acceptor, proton donor |
| A | PRO403 | 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 | CYS303 | covalently attached, electrostatic stabiliser, nucleofuge, nucleophile, proton acceptor, proton donor |
| B | PRO403 | 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 | CYS303 | covalently attached, electrostatic stabiliser, nucleofuge, nucleophile, proton acceptor, proton donor |
| C | PRO403 | 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 | CYS303 | covalently attached, electrostatic stabiliser, nucleofuge, nucleophile, proton acceptor, proton donor |
| D | PRO403 | 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 | CYS303 | covalently attached, electrostatic stabiliser, nucleofuge, nucleophile, proton acceptor, proton donor |
| E | PRO403 | 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 | CYS303 | covalently attached, electrostatic stabiliser, nucleofuge, nucleophile, proton acceptor, proton donor |
| F | PRO403 | 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 | CYS303 | covalently attached, electrostatic stabiliser, nucleofuge, nucleophile, proton acceptor, proton donor |
| G | PRO403 | 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 | CYS303 | covalently attached, electrostatic stabiliser, nucleofuge, nucleophile, proton acceptor, proton donor |
| H | PRO403 | electrostatic stabiliser |
