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 | 0006068 | biological_process | ethanol catabolic process |
A | 0008957 | molecular_function | phenylacetaldehyde dehydrogenase (NAD+) activity |
A | 0009055 | molecular_function | electron transfer activity |
A | 0016491 | molecular_function | oxidoreductase activity |
A | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
A | 0018547 | molecular_function | nitroglycerin reductase activity |
A | 0043878 | molecular_function | glyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity |
A | 0046185 | biological_process | aldehyde catabolic process |
A | 0051287 | molecular_function | NAD binding |
A | 0070062 | cellular_component | extracellular exosome |
A | 0106435 | molecular_function | carboxylesterase activity |
A | 1903179 | biological_process | regulation of dopamine biosynthetic process |
A | 1905627 | biological_process | regulation of serotonin biosynthetic process |
B | 0004029 | molecular_function | aldehyde dehydrogenase (NAD+) activity |
B | 0004030 | molecular_function | aldehyde dehydrogenase [NAD(P)+] activity |
B | 0005739 | cellular_component | mitochondrion |
B | 0005759 | cellular_component | mitochondrial matrix |
B | 0005975 | biological_process | carbohydrate metabolic process |
B | 0006066 | biological_process | alcohol metabolic process |
B | 0006068 | biological_process | ethanol catabolic process |
B | 0008957 | molecular_function | phenylacetaldehyde dehydrogenase (NAD+) activity |
B | 0009055 | molecular_function | electron transfer activity |
B | 0016491 | molecular_function | oxidoreductase activity |
B | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
B | 0018547 | molecular_function | nitroglycerin reductase activity |
B | 0043878 | molecular_function | glyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity |
B | 0046185 | biological_process | aldehyde catabolic process |
B | 0051287 | molecular_function | NAD binding |
B | 0070062 | cellular_component | extracellular exosome |
B | 0106435 | molecular_function | carboxylesterase activity |
B | 1903179 | biological_process | regulation of dopamine biosynthetic process |
B | 1905627 | biological_process | regulation of serotonin biosynthetic process |
C | 0004029 | molecular_function | aldehyde dehydrogenase (NAD+) activity |
C | 0004030 | molecular_function | aldehyde dehydrogenase [NAD(P)+] activity |
C | 0005739 | cellular_component | mitochondrion |
C | 0005759 | cellular_component | mitochondrial matrix |
C | 0005975 | biological_process | carbohydrate metabolic process |
C | 0006066 | biological_process | alcohol metabolic process |
C | 0006068 | biological_process | ethanol catabolic process |
C | 0008957 | molecular_function | phenylacetaldehyde dehydrogenase (NAD+) activity |
C | 0009055 | molecular_function | electron transfer activity |
C | 0016491 | molecular_function | oxidoreductase activity |
C | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
C | 0018547 | molecular_function | nitroglycerin reductase activity |
C | 0043878 | molecular_function | glyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity |
C | 0046185 | biological_process | aldehyde catabolic process |
C | 0051287 | molecular_function | NAD binding |
C | 0070062 | cellular_component | extracellular exosome |
C | 0106435 | molecular_function | carboxylesterase activity |
C | 1903179 | biological_process | regulation of dopamine biosynthetic process |
C | 1905627 | biological_process | regulation of serotonin biosynthetic process |
D | 0004029 | molecular_function | aldehyde dehydrogenase (NAD+) activity |
D | 0004030 | molecular_function | aldehyde dehydrogenase [NAD(P)+] activity |
D | 0005739 | cellular_component | mitochondrion |
D | 0005759 | cellular_component | mitochondrial matrix |
D | 0005975 | biological_process | carbohydrate metabolic process |
D | 0006066 | biological_process | alcohol metabolic process |
D | 0006068 | biological_process | ethanol catabolic process |
D | 0008957 | molecular_function | phenylacetaldehyde dehydrogenase (NAD+) activity |
D | 0009055 | molecular_function | electron transfer activity |
D | 0016491 | molecular_function | oxidoreductase activity |
D | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
D | 0018547 | molecular_function | nitroglycerin reductase activity |
D | 0043878 | molecular_function | glyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity |
D | 0046185 | biological_process | aldehyde catabolic process |
D | 0051287 | molecular_function | NAD binding |
D | 0070062 | cellular_component | extracellular exosome |
D | 0106435 | molecular_function | carboxylesterase activity |
D | 1903179 | biological_process | regulation of dopamine biosynthetic process |
D | 1905627 | biological_process | regulation of serotonin biosynthetic process |
E | 0004029 | molecular_function | aldehyde dehydrogenase (NAD+) activity |
E | 0004030 | molecular_function | aldehyde dehydrogenase [NAD(P)+] activity |
E | 0005739 | cellular_component | mitochondrion |
E | 0005759 | cellular_component | mitochondrial matrix |
E | 0005975 | biological_process | carbohydrate metabolic process |
E | 0006066 | biological_process | alcohol metabolic process |
E | 0006068 | biological_process | ethanol catabolic process |
E | 0008957 | molecular_function | phenylacetaldehyde dehydrogenase (NAD+) activity |
E | 0009055 | molecular_function | electron transfer activity |
E | 0016491 | molecular_function | oxidoreductase activity |
E | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
E | 0018547 | molecular_function | nitroglycerin reductase activity |
E | 0043878 | molecular_function | glyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity |
E | 0046185 | biological_process | aldehyde catabolic process |
E | 0051287 | molecular_function | NAD binding |
E | 0070062 | cellular_component | extracellular exosome |
E | 0106435 | molecular_function | carboxylesterase activity |
E | 1903179 | biological_process | regulation of dopamine biosynthetic process |
E | 1905627 | biological_process | regulation of serotonin biosynthetic process |
F | 0004029 | molecular_function | aldehyde dehydrogenase (NAD+) activity |
F | 0004030 | molecular_function | aldehyde dehydrogenase [NAD(P)+] activity |
F | 0005739 | cellular_component | mitochondrion |
F | 0005759 | cellular_component | mitochondrial matrix |
F | 0005975 | biological_process | carbohydrate metabolic process |
F | 0006066 | biological_process | alcohol metabolic process |
F | 0006068 | biological_process | ethanol catabolic process |
F | 0008957 | molecular_function | phenylacetaldehyde dehydrogenase (NAD+) activity |
F | 0009055 | molecular_function | electron transfer activity |
F | 0016491 | molecular_function | oxidoreductase activity |
F | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
F | 0018547 | molecular_function | nitroglycerin reductase activity |
F | 0043878 | molecular_function | glyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity |
F | 0046185 | biological_process | aldehyde catabolic process |
F | 0051287 | molecular_function | NAD binding |
F | 0070062 | cellular_component | extracellular exosome |
F | 0106435 | molecular_function | carboxylesterase activity |
F | 1903179 | biological_process | regulation of dopamine biosynthetic process |
F | 1905627 | biological_process | regulation of serotonin biosynthetic process |
G | 0004029 | molecular_function | aldehyde dehydrogenase (NAD+) activity |
G | 0004030 | molecular_function | aldehyde dehydrogenase [NAD(P)+] activity |
G | 0005739 | cellular_component | mitochondrion |
G | 0005759 | cellular_component | mitochondrial matrix |
G | 0005975 | biological_process | carbohydrate metabolic process |
G | 0006066 | biological_process | alcohol metabolic process |
G | 0006068 | biological_process | ethanol catabolic process |
G | 0008957 | molecular_function | phenylacetaldehyde dehydrogenase (NAD+) activity |
G | 0009055 | molecular_function | electron transfer activity |
G | 0016491 | molecular_function | oxidoreductase activity |
G | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
G | 0018547 | molecular_function | nitroglycerin reductase activity |
G | 0043878 | molecular_function | glyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity |
G | 0046185 | biological_process | aldehyde catabolic process |
G | 0051287 | molecular_function | NAD binding |
G | 0070062 | cellular_component | extracellular exosome |
G | 0106435 | molecular_function | carboxylesterase activity |
G | 1903179 | biological_process | regulation of dopamine biosynthetic process |
G | 1905627 | biological_process | regulation of serotonin biosynthetic process |
H | 0004029 | molecular_function | aldehyde dehydrogenase (NAD+) activity |
H | 0004030 | molecular_function | aldehyde dehydrogenase [NAD(P)+] activity |
H | 0005739 | cellular_component | mitochondrion |
H | 0005759 | cellular_component | mitochondrial matrix |
H | 0005975 | biological_process | carbohydrate metabolic process |
H | 0006066 | biological_process | alcohol metabolic process |
H | 0006068 | biological_process | ethanol catabolic process |
H | 0008957 | molecular_function | phenylacetaldehyde dehydrogenase (NAD+) activity |
H | 0009055 | molecular_function | electron transfer activity |
H | 0016491 | molecular_function | oxidoreductase activity |
H | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
H | 0018547 | molecular_function | nitroglycerin reductase activity |
H | 0043878 | molecular_function | glyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity |
H | 0046185 | biological_process | aldehyde catabolic process |
H | 0051287 | molecular_function | NAD binding |
H | 0070062 | cellular_component | extracellular exosome |
H | 0106435 | molecular_function | carboxylesterase activity |
H | 1903179 | biological_process | regulation of dopamine biosynthetic process |
H | 1905627 | biological_process | regulation of serotonin biosynthetic process |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 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 | ACT_SITE: Proton acceptor |
Chain | Residue | Details |
A | GLU268 | |
B | GLU268 | |
C | GLU268 | |
D | GLU268 | |
E | GLU268 | |
F | GLU268 | |
G | GLU268 | |
H | GLU268 |
site_id | SWS_FT_FI2 |
Number of Residues | 8 |
Details | ACT_SITE: Nucleophile |
Chain | Residue | Details |
A | SER302 | |
B | SER302 | |
C | SER302 | |
D | SER302 | |
E | SER302 | |
F | SER302 | |
G | SER302 | |
H | SER302 |
site_id | SWS_FT_FI3 |
Number of Residues | 8 |
Details | BINDING: BINDING => ECO:0000250 |
Chain | Residue | Details |
A | GLY245 | |
B | GLY245 | |
C | GLY245 | |
D | GLY245 | |
E | GLY245 | |
F | GLY245 | |
G | GLY245 | |
H | GLY245 |
site_id | SWS_FT_FI4 |
Number of Residues | 8 |
Details | SITE: Transition state stabilizer => ECO:0000250|UniProtKB:P20000 |
Chain | Residue | Details |
A | ASN169 | |
B | ASN169 | |
C | ASN169 | |
D | ASN169 | |
E | ASN169 | |
F | ASN169 | |
G | ASN169 | |
H | ASN169 |
site_id | SWS_FT_FI5 |
Number of Residues | 72 |
Details | MOD_RES: N6-acetyllysine => ECO:0000250|UniProtKB:P47738 |
Chain | Residue | Details |
A | LYS35 | |
B | LYS35 | |
B | LYS56 | |
B | LYS61 | |
B | LYS142 | |
B | LYS351 | |
B | LYS366 | |
B | LYS409 | |
B | LYS411 | |
B | LYS434 | |
C | LYS35 | |
A | LYS56 | |
C | LYS56 | |
C | LYS61 | |
C | LYS142 | |
C | LYS351 | |
C | LYS366 | |
C | LYS409 | |
C | LYS411 | |
C | LYS434 | |
D | LYS35 | |
D | LYS56 | |
A | LYS61 | |
D | LYS61 | |
D | LYS142 | |
D | LYS351 | |
D | LYS366 | |
D | LYS409 | |
D | LYS411 | |
D | LYS434 | |
E | LYS35 | |
E | LYS56 | |
E | LYS61 | |
A | LYS142 | |
E | LYS142 | |
E | LYS351 | |
E | LYS366 | |
E | LYS409 | |
E | LYS411 | |
E | LYS434 | |
F | LYS35 | |
F | LYS56 | |
F | LYS61 | |
F | LYS142 | |
A | LYS351 | |
F | LYS351 | |
F | LYS366 | |
F | LYS409 | |
F | LYS411 | |
F | LYS434 | |
G | LYS35 | |
G | LYS56 | |
G | LYS61 | |
G | LYS142 | |
G | LYS351 | |
A | LYS366 | |
G | LYS366 | |
G | LYS409 | |
G | LYS411 | |
G | LYS434 | |
H | LYS35 | |
H | LYS56 | |
H | LYS61 | |
H | LYS142 | |
H | LYS351 | |
H | LYS366 | |
A | LYS409 | |
H | LYS409 | |
H | LYS411 | |
H | LYS434 | |
A | LYS411 | |
A | LYS434 |
Catalytic Information from CSA
site_id | CSA1 |
Number of Residues | 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 |