4X0T
Structure ALDH7A1 inactivated by 4-diethylaminobenzaldehyde and complexed with NAD+
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004029 | molecular_function | aldehyde dehydrogenase (NAD+) activity |
| A | 0004043 | molecular_function | L-aminoadipate-semialdehyde dehydrogenase activity |
| A | 0005515 | molecular_function | protein binding |
| A | 0005634 | cellular_component | nucleus |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005739 | cellular_component | mitochondrion |
| A | 0005759 | cellular_component | mitochondrial matrix |
| A | 0005829 | cellular_component | cytosol |
| A | 0006081 | biological_process | cellular aldehyde metabolic process |
| A | 0007605 | biological_process | sensory perception of sound |
| A | 0008802 | molecular_function | betaine-aldehyde dehydrogenase (NAD+) 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 | 0019285 | biological_process | glycine betaine biosynthetic process from choline |
| A | 0042426 | biological_process | choline catabolic process |
| A | 0042802 | molecular_function | identical protein binding |
| A | 0043878 | molecular_function | glyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity |
| A | 0070062 | cellular_component | extracellular exosome |
| B | 0004029 | molecular_function | aldehyde dehydrogenase (NAD+) activity |
| B | 0004043 | molecular_function | L-aminoadipate-semialdehyde dehydrogenase activity |
| B | 0005515 | molecular_function | protein binding |
| B | 0005634 | cellular_component | nucleus |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005739 | cellular_component | mitochondrion |
| B | 0005759 | cellular_component | mitochondrial matrix |
| B | 0005829 | cellular_component | cytosol |
| B | 0006081 | biological_process | cellular aldehyde metabolic process |
| B | 0007605 | biological_process | sensory perception of sound |
| B | 0008802 | molecular_function | betaine-aldehyde dehydrogenase (NAD+) 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 | 0019285 | biological_process | glycine betaine biosynthetic process from choline |
| B | 0042426 | biological_process | choline catabolic process |
| B | 0042802 | molecular_function | identical protein binding |
| B | 0043878 | molecular_function | glyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity |
| B | 0070062 | cellular_component | extracellular exosome |
| C | 0004029 | molecular_function | aldehyde dehydrogenase (NAD+) activity |
| C | 0004043 | molecular_function | L-aminoadipate-semialdehyde dehydrogenase activity |
| C | 0005515 | molecular_function | protein binding |
| C | 0005634 | cellular_component | nucleus |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0005739 | cellular_component | mitochondrion |
| C | 0005759 | cellular_component | mitochondrial matrix |
| C | 0005829 | cellular_component | cytosol |
| C | 0006081 | biological_process | cellular aldehyde metabolic process |
| C | 0007605 | biological_process | sensory perception of sound |
| C | 0008802 | molecular_function | betaine-aldehyde dehydrogenase (NAD+) 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 | 0019285 | biological_process | glycine betaine biosynthetic process from choline |
| C | 0042426 | biological_process | choline catabolic process |
| C | 0042802 | molecular_function | identical protein binding |
| C | 0043878 | molecular_function | glyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity |
| C | 0070062 | cellular_component | extracellular exosome |
| D | 0004029 | molecular_function | aldehyde dehydrogenase (NAD+) activity |
| D | 0004043 | molecular_function | L-aminoadipate-semialdehyde dehydrogenase activity |
| D | 0005515 | molecular_function | protein binding |
| D | 0005634 | cellular_component | nucleus |
| D | 0005737 | cellular_component | cytoplasm |
| D | 0005739 | cellular_component | mitochondrion |
| D | 0005759 | cellular_component | mitochondrial matrix |
| D | 0005829 | cellular_component | cytosol |
| D | 0006081 | biological_process | cellular aldehyde metabolic process |
| D | 0007605 | biological_process | sensory perception of sound |
| D | 0008802 | molecular_function | betaine-aldehyde dehydrogenase (NAD+) 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 | 0019285 | biological_process | glycine betaine biosynthetic process from choline |
| D | 0042426 | biological_process | choline catabolic process |
| D | 0042802 | molecular_function | identical protein binding |
| D | 0043878 | molecular_function | glyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity |
| D | 0070062 | cellular_component | extracellular exosome |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 28 |
| Details | binding site for residue NAD A 601 |
| Chain | Residue |
| A | ILE163 |
| A | ALA227 |
| A | GLY230 |
| A | THR231 |
| A | PHE244 |
| A | THR245 |
| A | GLY246 |
| A | SER247 |
| A | VAL250 |
| A | GLU268 |
| A | LEU269 |
| A | THR164 |
| A | GLY270 |
| A | GLU399 |
| A | PHE401 |
| A | PHE468 |
| A | 3W9602 |
| A | HOH706 |
| A | HOH752 |
| A | HOH773 |
| B | HOH704 |
| A | ALA165 |
| A | PHE166 |
| A | ASN167 |
| A | LYS190 |
| A | GLY191 |
| A | ALA192 |
| A | PRO193 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | binding site for residue 3W9 A 602 |
| Chain | Residue |
| A | ASN167 |
| A | PHE168 |
| A | ALA171 |
| A | TRP175 |
| A | PHE468 |
| A | NAD601 |
| site_id | AC3 |
| Number of Residues | 29 |
| Details | binding site for residue NAD B 601 |
| Chain | Residue |
| B | ILE163 |
| B | THR164 |
| B | ALA165 |
| B | PHE166 |
| B | ASN167 |
| B | LYS190 |
| B | GLY191 |
| B | ALA192 |
| B | PRO193 |
| B | ALA227 |
| B | GLY230 |
| B | THR231 |
| B | PHE244 |
| B | THR245 |
| B | GLY246 |
| B | SER247 |
| B | VAL250 |
| B | VAL254 |
| B | GLU268 |
| B | LEU269 |
| B | GLY270 |
| B | GLU399 |
| B | PHE401 |
| B | PHE468 |
| B | 3W9602 |
| B | HOH713 |
| B | HOH752 |
| B | HOH767 |
| B | HOH768 |
| site_id | AC4 |
| Number of Residues | 8 |
| Details | binding site for residue 3W9 B 602 |
| Chain | Residue |
| B | ASN167 |
| B | PHE168 |
| B | ALA171 |
| B | TRP175 |
| B | ARG301 |
| B | PHE468 |
| B | GLU479 |
| B | NAD601 |
| site_id | AC5 |
| Number of Residues | 28 |
| Details | binding site for residue NAD C 601 |
| Chain | Residue |
| C | ILE163 |
| C | THR164 |
| C | ALA165 |
| C | PHE166 |
| C | ASN167 |
| C | LYS190 |
| C | GLY191 |
| C | ALA192 |
| C | PRO193 |
| C | ALA227 |
| C | GLY230 |
| C | THR231 |
| C | PHE244 |
| C | THR245 |
| C | GLY246 |
| C | SER247 |
| C | VAL250 |
| C | GLU268 |
| C | LEU269 |
| C | GLY270 |
| C | GLU399 |
| C | PHE401 |
| C | PHE468 |
| C | 3W9602 |
| C | HOH709 |
| C | HOH747 |
| C | HOH754 |
| C | HOH775 |
| site_id | AC6 |
| Number of Residues | 8 |
| Details | binding site for residue 3W9 C 602 |
| Chain | Residue |
| C | ASN167 |
| C | PHE168 |
| C | ALA171 |
| C | TRP175 |
| C | ARG301 |
| C | PHE468 |
| C | GLU479 |
| C | NAD601 |
| site_id | AC7 |
| Number of Residues | 26 |
| Details | binding site for residue NAD D 601 |
| Chain | Residue |
| D | ILE163 |
| D | THR164 |
| D | ALA165 |
| D | PHE166 |
| D | ASN167 |
| D | LYS190 |
| D | ALA192 |
| D | PRO193 |
| D | ALA227 |
| D | GLY230 |
| D | THR231 |
| D | PHE244 |
| D | THR245 |
| D | GLY246 |
| D | SER247 |
| D | VAL250 |
| D | VAL254 |
| D | GLU268 |
| D | LEU269 |
| D | GLY270 |
| D | GLU399 |
| D | PHE401 |
| D | 3W9602 |
| D | HOH702 |
| D | HOH728 |
| D | HOH741 |
| site_id | AC8 |
| Number of Residues | 8 |
| Details | binding site for residue 3W9 D 602 |
| Chain | Residue |
| D | ASN167 |
| D | PHE168 |
| D | ALA171 |
| D | TRP175 |
| D | ARG301 |
| D | PHE468 |
| D | GLU479 |
| D | NAD601 |
Functional Information from PROSITE/UniProt
| site_id | PS00687 |
| Number of Residues | 8 |
| Details | ALDEHYDE_DEHYDR_GLU Aldehyde dehydrogenases glutamic acid active site. LELGGNNA |
| Chain | Residue | Details |
| A | LEU267-ALA274 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | ACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU10007 |
| 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:0000269|PubMed:26260980 |
| Chain | Residue | Details |
| A | CYS302 | |
| B | CYS302 | |
| C | CYS302 | |
| D | CYS302 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 16 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:20207735, ECO:0000269|PubMed:26260980, ECO:0007744|PDB:2J6L, ECO:0007744|PDB:4X0T, ECO:0007744|PDB:4ZUK, ECO:0007744|PDB:4ZVY |
| Chain | Residue | Details |
| A | THR164 | |
| C | LYS190 | |
| C | GLY230 | |
| C | GLY246 | |
| D | THR164 | |
| D | LYS190 | |
| D | GLY230 | |
| D | GLY246 | |
| A | LYS190 | |
| A | GLY230 | |
| A | GLY246 | |
| B | THR164 | |
| B | LYS190 | |
| B | GLY230 | |
| B | GLY246 | |
| C | THR164 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 8 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:20207735, ECO:0000269|PubMed:26260980, ECO:0007744|PDB:2J6L, ECO:0007744|PDB:4X0T |
| Chain | Residue | Details |
| A | GLU268 | |
| A | GLU399 | |
| B | GLU268 | |
| B | GLU399 | |
| C | GLU268 | |
| C | GLU399 | |
| D | GLU268 | |
| D | GLU399 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 12 |
| Details | BINDING: BINDING => ECO:0007744|PDB:4ZUL |
| Chain | Residue | Details |
| A | THR303 | |
| D | THR303 | |
| D | GLY461 | |
| D | ALA462 | |
| A | GLY461 | |
| A | ALA462 | |
| B | THR303 | |
| B | GLY461 | |
| B | ALA462 | |
| C | THR303 | |
| C | GLY461 | |
| C | ALA462 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 4 |
| Details | SITE: Transition state stabilizer => ECO:0000250 |
| Chain | Residue | Details |
| A | ASN167 | |
| B | ASN167 | |
| C | ASN167 | |
| D | ASN167 |
| site_id | SWS_FT_FI7 |
| Number of Residues | 4 |
| Details | MOD_RES: N6-succinyllysine; alternate => ECO:0000250|UniProtKB:Q9DBF1 |
| Chain | Residue | Details |
| A | LYS66 | |
| B | LYS66 | |
| C | LYS66 | |
| D | LYS66 |
| site_id | SWS_FT_FI8 |
| Number of Residues | 8 |
| Details | MOD_RES: N6-acetyllysine => ECO:0000250|UniProtKB:Q9DBF1 |
| Chain | Residue | Details |
| A | LYS434 | |
| A | LYS472 | |
| B | LYS434 | |
| B | LYS472 | |
| C | LYS434 | |
| C | LYS472 | |
| D | LYS434 | |
| D | LYS472 |
| site_id | SWS_FT_FI9 |
| Number of Residues | 4 |
| Details | MOD_RES: N6-succinyllysine => ECO:0000250|UniProtKB:Q9DBF1 |
| Chain | Residue | Details |
| A | LYS509 | |
| B | LYS509 | |
| C | LYS509 | |
| D | LYS509 |
