6O4L
Structure of ALDH7A1 mutant E399D 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 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 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 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 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 | 2 |
Details | binding site for residue EDO A 601 |
Chain | Residue |
A | TRP13 |
A | SER102 |
site_id | AC2 |
Number of Residues | 3 |
Details | binding site for residue EDO A 602 |
Chain | Residue |
A | GLN10 |
A | TRP13 |
A | TRP335 |
site_id | AC3 |
Number of Residues | 4 |
Details | binding site for residue CL A 603 |
Chain | Residue |
A | VAL287 |
A | ARG321 |
A | HOH840 |
C | PHE510 |
site_id | AC4 |
Number of Residues | 25 |
Details | binding site for residue NAD A 604 |
Chain | Residue |
A | ILE163 |
A | THR164 |
A | ALA165 |
A | PHE166 |
A | LYS190 |
A | GLY191 |
A | ALA192 |
A | PRO193 |
A | ALA227 |
A | GLY230 |
A | THR231 |
A | PHE244 |
A | THR245 |
A | GLY246 |
A | SER247 |
A | VAL250 |
A | GLY270 |
A | GLY271 |
A | CYS302 |
A | ASP399 |
A | PHE401 |
A | HOH728 |
A | HOH745 |
A | HOH777 |
A | HOH833 |
site_id | AC5 |
Number of Residues | 4 |
Details | binding site for residue EDO B 601 |
Chain | Residue |
B | TRP13 |
B | VAL99 |
B | SER102 |
B | HOH732 |
site_id | AC6 |
Number of Residues | 3 |
Details | binding site for residue CL B 602 |
Chain | Residue |
B | VAL287 |
B | ARG321 |
D | GLN511 |
site_id | AC7 |
Number of Residues | 27 |
Details | binding site for residue NAD B 603 |
Chain | Residue |
B | ILE163 |
B | THR164 |
B | PHE166 |
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 | GLY270 |
B | GLY271 |
B | CYS302 |
B | ASP399 |
B | THR400 |
B | PHE401 |
B | HOH709 |
B | HOH713 |
B | HOH773 |
B | HOH822 |
B | HOH871 |
site_id | AC8 |
Number of Residues | 25 |
Details | binding site for residue NAD C 601 |
Chain | Residue |
C | ILE163 |
C | THR164 |
C | ALA165 |
C | PHE166 |
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 | GLY270 |
C | GLY271 |
C | CYS302 |
C | ASP399 |
C | THR400 |
C | PHE401 |
C | HOH731 |
C | HOH812 |
C | HOH813 |
site_id | AC9 |
Number of Residues | 4 |
Details | binding site for residue EDO D 601 |
Chain | Residue |
D | GLN10 |
D | TYR11 |
D | TRP13 |
D | TRP335 |
site_id | AD1 |
Number of Residues | 22 |
Details | binding site for residue NAD D 602 |
Chain | Residue |
D | ALA165 |
D | LYS190 |
D | GLY191 |
D | ALA192 |
D | PRO193 |
D | GLY230 |
D | THR231 |
D | PHE244 |
D | GLY246 |
D | SER247 |
D | VAL250 |
D | GLY270 |
D | GLY271 |
D | CYS302 |
D | ASP399 |
D | PHE401 |
D | HOH732 |
D | HOH746 |
D | HOH794 |
D | HOH799 |
D | ILE163 |
D | THR164 |
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 |
B | THR164 | |
B | LYS190 | |
B | GLY230 | |
B | GLY246 | |
C | THR164 | |
C | LYS190 | |
C | GLY230 | |
C | GLY246 | |
D | THR164 | |
D | LYS190 | |
D | GLY230 | |
D | GLY246 | |
A | THR164 | |
A | LYS190 | |
A | GLY230 | |
A | GLY246 |
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 |
C | GLU268 | |
C | ASP399 | |
D | GLU268 | |
D | ASP399 | |
A | GLU268 | |
A | ASP399 | |
B | GLU268 | |
B | ASP399 |
site_id | SWS_FT_FI5 |
Number of Residues | 12 |
Details | BINDING: BINDING => ECO:0007744|PDB:4ZUL |
Chain | Residue | Details |
B | GLY461 | |
B | ALA462 | |
C | THR303 | |
C | GLY461 | |
C | ALA462 | |
D | THR303 | |
D | GLY461 | |
D | ALA462 | |
A | THR303 | |
A | GLY461 | |
A | ALA462 | |
B | THR303 |
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 |
C | LYS434 | |
C | LYS472 | |
D | LYS434 | |
D | LYS472 | |
A | LYS434 | |
A | LYS472 | |
B | LYS434 | |
B | 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 |