5AC1
Sheep aldehyde dehydrogenase 1A1 with duocarmycin analog inhibitor
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0001523 | biological_process | retinoid metabolic process |
| A | 0001758 | molecular_function | retinal dehydrogenase activity |
| A | 0004029 | molecular_function | aldehyde dehydrogenase (NAD+) activity |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005829 | cellular_component | cytosol |
| A | 0006629 | biological_process | lipid metabolic process |
| A | 0009449 | biological_process | gamma-aminobutyric acid biosynthetic process |
| 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 | 0018479 | molecular_function | benzaldehyde dehydrogenase (NAD+) activity |
| A | 0019145 | molecular_function | aminobutyraldehyde dehydrogenase (NAD+) activity |
| A | 0030392 | biological_process | fructosamine catabolic process |
| A | 0030424 | cellular_component | axon |
| A | 0036438 | biological_process | maintenance of lens transparency |
| A | 0042572 | biological_process | retinol metabolic process |
| A | 0042995 | cellular_component | cell projection |
| A | 0043878 | molecular_function | glyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity |
| A | 0045202 | cellular_component | synapse |
| A | 0051287 | molecular_function | NAD binding |
| A | 0106373 | molecular_function | 3-deoxyglucosone dehydrogenase activity |
| A | 0110095 | biological_process | cellular detoxification of aldehyde |
| B | 0001523 | biological_process | retinoid metabolic process |
| B | 0001758 | molecular_function | retinal dehydrogenase activity |
| B | 0004029 | molecular_function | aldehyde dehydrogenase (NAD+) activity |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005829 | cellular_component | cytosol |
| B | 0006629 | biological_process | lipid metabolic process |
| B | 0009449 | biological_process | gamma-aminobutyric acid biosynthetic process |
| 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 | 0018479 | molecular_function | benzaldehyde dehydrogenase (NAD+) activity |
| B | 0019145 | molecular_function | aminobutyraldehyde dehydrogenase (NAD+) activity |
| B | 0030392 | biological_process | fructosamine catabolic process |
| B | 0030424 | cellular_component | axon |
| B | 0036438 | biological_process | maintenance of lens transparency |
| B | 0042572 | biological_process | retinol metabolic process |
| B | 0042995 | cellular_component | cell projection |
| B | 0043878 | molecular_function | glyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity |
| B | 0045202 | cellular_component | synapse |
| B | 0051287 | molecular_function | NAD binding |
| B | 0106373 | molecular_function | 3-deoxyglucosone dehydrogenase activity |
| B | 0110095 | biological_process | cellular detoxification of aldehyde |
| C | 0001523 | biological_process | retinoid metabolic process |
| C | 0001758 | molecular_function | retinal dehydrogenase activity |
| C | 0004029 | molecular_function | aldehyde dehydrogenase (NAD+) activity |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0005829 | cellular_component | cytosol |
| C | 0006629 | biological_process | lipid metabolic process |
| C | 0009449 | biological_process | gamma-aminobutyric acid biosynthetic process |
| 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 | 0018479 | molecular_function | benzaldehyde dehydrogenase (NAD+) activity |
| C | 0019145 | molecular_function | aminobutyraldehyde dehydrogenase (NAD+) activity |
| C | 0030392 | biological_process | fructosamine catabolic process |
| C | 0030424 | cellular_component | axon |
| C | 0036438 | biological_process | maintenance of lens transparency |
| C | 0042572 | biological_process | retinol metabolic process |
| C | 0042995 | cellular_component | cell projection |
| C | 0043878 | molecular_function | glyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity |
| C | 0045202 | cellular_component | synapse |
| C | 0051287 | molecular_function | NAD binding |
| C | 0106373 | molecular_function | 3-deoxyglucosone dehydrogenase activity |
| C | 0110095 | biological_process | cellular detoxification of aldehyde |
| D | 0001523 | biological_process | retinoid metabolic process |
| D | 0001758 | molecular_function | retinal dehydrogenase activity |
| D | 0004029 | molecular_function | aldehyde dehydrogenase (NAD+) activity |
| D | 0005737 | cellular_component | cytoplasm |
| D | 0005829 | cellular_component | cytosol |
| D | 0006629 | biological_process | lipid metabolic process |
| D | 0009449 | biological_process | gamma-aminobutyric acid biosynthetic process |
| 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 | 0018479 | molecular_function | benzaldehyde dehydrogenase (NAD+) activity |
| D | 0019145 | molecular_function | aminobutyraldehyde dehydrogenase (NAD+) activity |
| D | 0030392 | biological_process | fructosamine catabolic process |
| D | 0030424 | cellular_component | axon |
| D | 0036438 | biological_process | maintenance of lens transparency |
| D | 0042572 | biological_process | retinol metabolic process |
| D | 0042995 | cellular_component | cell projection |
| D | 0043878 | molecular_function | glyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity |
| D | 0045202 | cellular_component | synapse |
| D | 0051287 | molecular_function | NAD binding |
| D | 0106373 | molecular_function | 3-deoxyglucosone dehydrogenase activity |
| D | 0110095 | biological_process | cellular detoxification of aldehyde |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE K9P A 501 |
| Chain | Residue |
| A | MET120 |
| A | SER457 |
| A | PHE170 |
| A | LEU173 |
| A | MET174 |
| A | GLN292 |
| A | GLY293 |
| A | TYR296 |
| A | CYS301 |
| A | CYS302 |
| site_id | AC2 |
| Number of Residues | 29 |
| Details | BINDING SITE FOR RESIDUE TXE A 550 |
| Chain | Residue |
| A | ILE165 |
| A | ILE166 |
| A | PRO167 |
| A | TRP168 |
| A | ASN169 |
| A | LYS192 |
| A | ALA194 |
| A | GLU195 |
| A | GLY225 |
| A | GLY229 |
| A | ALA230 |
| A | PHE243 |
| A | GLY245 |
| A | SER246 |
| A | VAL249 |
| A | GLU268 |
| A | LEU269 |
| A | GLY270 |
| A | CYS302 |
| A | GLN349 |
| A | LYS352 |
| A | GLU399 |
| A | MG551 |
| A | HOH2104 |
| A | HOH2114 |
| A | HOH2124 |
| A | HOH2169 |
| A | HOH2211 |
| A | HOH2213 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG A 551 |
| Chain | Residue |
| A | TXE550 |
| A | HOH2134 |
| A | HOH2169 |
| A | HOH2211 |
| A | HOH2212 |
| site_id | AC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE K9P B 501 |
| Chain | Residue |
| B | MET120 |
| B | PHE170 |
| B | MET174 |
| B | GLN292 |
| B | TYR296 |
| B | CYS301 |
| B | CYS302 |
| site_id | AC5 |
| Number of Residues | 29 |
| Details | BINDING SITE FOR RESIDUE TXE B 550 |
| Chain | Residue |
| B | ILE165 |
| B | ILE166 |
| B | PRO167 |
| B | TRP168 |
| B | ASN169 |
| B | LYS192 |
| B | ALA194 |
| B | GLU195 |
| B | GLY225 |
| B | GLY229 |
| B | ALA230 |
| B | PHE243 |
| B | GLY245 |
| B | SER246 |
| B | VAL249 |
| B | GLU268 |
| B | GLY270 |
| B | CYS302 |
| B | GLN349 |
| B | LYS352 |
| B | GLU399 |
| B | MG551 |
| B | HOH2103 |
| B | HOH2109 |
| B | HOH2123 |
| B | HOH2131 |
| B | HOH2188 |
| B | HOH2189 |
| B | HOH2190 |
| site_id | AC6 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE MG B 551 |
| Chain | Residue |
| B | TXE550 |
| B | HOH2131 |
| B | HOH2188 |
| site_id | AC7 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE K9P C 501 |
| Chain | Residue |
| C | MET120 |
| C | PHE170 |
| C | LEU173 |
| C | GLN292 |
| C | TYR296 |
| C | CYS301 |
| C | CYS302 |
| site_id | AC8 |
| Number of Residues | 30 |
| Details | BINDING SITE FOR RESIDUE TXE C 550 |
| Chain | Residue |
| C | GLY225 |
| C | GLY229 |
| C | ALA230 |
| C | PHE243 |
| C | GLY245 |
| C | SER246 |
| C | VAL249 |
| C | ILE253 |
| C | GLU268 |
| C | GLY270 |
| C | CYS302 |
| C | GLU348 |
| C | GLN349 |
| C | LYS352 |
| C | GLU399 |
| C | PHE401 |
| C | MG551 |
| C | HOH2081 |
| C | HOH2096 |
| C | HOH2171 |
| C | HOH2172 |
| A | HOH2173 |
| C | ILE165 |
| C | ILE166 |
| C | PRO167 |
| C | TRP168 |
| C | ASN169 |
| C | LYS192 |
| C | ALA194 |
| C | GLU195 |
| site_id | AC9 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE MG C 551 |
| Chain | Residue |
| A | HOH2173 |
| C | TXE550 |
| C | HOH2171 |
| site_id | BC1 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE K9P D 501 |
| Chain | Residue |
| D | MET120 |
| D | PHE170 |
| D | LEU173 |
| D | GLN292 |
| D | GLY293 |
| D | TYR296 |
| D | CYS301 |
| D | CYS302 |
| D | SER457 |
| site_id | BC2 |
| Number of Residues | 30 |
| Details | BINDING SITE FOR RESIDUE TXE D 550 |
| Chain | Residue |
| D | ILE165 |
| D | ILE166 |
| D | PRO167 |
| D | TRP168 |
| D | ASN169 |
| D | LYS192 |
| D | ALA194 |
| D | GLU195 |
| D | GLY225 |
| D | GLY229 |
| D | ALA230 |
| D | PHE243 |
| D | GLY245 |
| D | SER246 |
| D | VAL249 |
| D | GLU268 |
| D | LEU269 |
| D | GLY270 |
| D | CYS302 |
| D | GLN349 |
| D | LYS352 |
| D | GLU399 |
| D | MG551 |
| D | HOH2075 |
| D | HOH2081 |
| D | HOH2084 |
| D | HOH2089 |
| D | HOH2103 |
| D | HOH2126 |
| D | HOH2153 |
| site_id | BC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG D 551 |
| Chain | Residue |
| D | TXE550 |
| D | HOH2097 |
| D | HOH2099 |
| D | HOH2126 |
| D | HOH2153 |
Functional Information from PROSITE/UniProt
| site_id | PS00070 |
| Number of Residues | 12 |
| Details | ALDEHYDE_DEHYDR_CYS Aldehyde dehydrogenases cysteine active site. FyHQGQCCIAAS |
| 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 | 4 |
| Details | ACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU10007, ECO:0000255|PROSITE-ProRule:PRU10008 |
| Chain | Residue | Details |
| A | GLU268 | |
| B | GLU268 | |
| C | GLU268 | |
| D | GLU268 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | ACT_SITE: Nucleophile => ECO:0000303|PubMed:9862807 |
| Chain | Residue | Details |
| A | CYS302 | |
| B | CYS302 | |
| C | CYS302 | |
| D | CYS302 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 24 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:26373694, ECO:0000269|PubMed:9862807, ECO:0007744|PDB:1BXS, ECO:0007744|PDB:5AC0 |
| Chain | Residue | Details |
| A | ILE166 | |
| B | GLY245 | |
| B | GLU348 | |
| B | GLU399 | |
| C | ILE166 | |
| C | LYS192 | |
| C | GLY225 | |
| C | GLY245 | |
| C | GLU348 | |
| C | GLU399 | |
| D | ILE166 | |
| A | LYS192 | |
| D | LYS192 | |
| D | GLY225 | |
| D | GLY245 | |
| D | GLU348 | |
| D | GLU399 | |
| A | GLY225 | |
| A | GLY245 | |
| A | GLU348 | |
| A | GLU399 | |
| B | ILE166 | |
| B | LYS192 | |
| B | GLY225 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:26373694, ECO:0007744|PDB:5AC0 |
| Chain | Residue | Details |
| A | GLU268 | |
| B | GLU268 | |
| C | GLU268 | |
| D | GLU268 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 4 |
| Details | SITE: Transition state stabilizer => ECO:0000250|UniProtKB:P20000 |
| Chain | Residue | Details |
| A | ASN169 | |
| B | ASN169 | |
| C | ASN169 | |
| D | ASN169 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 4 |
| Details | MOD_RES: N-acetylserine => ECO:0000250|UniProtKB:P15437 |
| Chain | Residue | Details |
| A | SER1 | |
| B | SER1 | |
| C | SER1 | |
| D | SER1 |
| site_id | SWS_FT_FI7 |
| Number of Residues | 32 |
| Details | MOD_RES: N6-acetyllysine => ECO:0000250|UniProtKB:P00352 |
| Chain | Residue | Details |
| A | LYS90 | |
| B | LYS127 | |
| B | LYS251 | |
| B | LYS352 | |
| B | LYS366 | |
| B | LYS409 | |
| B | LYS418 | |
| B | LYS494 | |
| C | LYS90 | |
| C | LYS127 | |
| C | LYS251 | |
| A | LYS127 | |
| C | LYS352 | |
| C | LYS366 | |
| C | LYS409 | |
| C | LYS418 | |
| C | LYS494 | |
| D | LYS90 | |
| D | LYS127 | |
| D | LYS251 | |
| D | LYS352 | |
| D | LYS366 | |
| A | LYS251 | |
| D | LYS409 | |
| D | LYS418 | |
| D | LYS494 | |
| A | LYS352 | |
| A | LYS366 | |
| A | LYS409 | |
| A | LYS418 | |
| A | LYS494 | |
| B | LYS90 |
| site_id | SWS_FT_FI8 |
| Number of Residues | 4 |
| Details | MOD_RES: Phosphothreonine => ECO:0000250|UniProtKB:P00352 |
| Chain | Residue | Details |
| A | THR336 | |
| B | THR336 | |
| C | THR336 | |
| D | THR336 |
| site_id | SWS_FT_FI9 |
| Number of Residues | 4 |
| Details | MOD_RES: Phosphoserine => ECO:0000250|UniProtKB:P00352 |
| Chain | Residue | Details |
| A | SER412 | |
| B | SER412 | |
| C | SER412 | |
| D | SER412 |
