1BPW
BETAINE ALDEHYDE DEHYDROGENASE FROM COD LIVER
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004029 | molecular_function | aldehyde dehydrogenase (NAD+) activity |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005829 | cellular_component | cytosol |
| 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 | 0045329 | biological_process | carnitine biosynthetic process |
| A | 0047105 | molecular_function | 4-trimethylammoniobutyraldehyde dehydrogenase activity |
| B | 0004029 | molecular_function | aldehyde dehydrogenase (NAD+) activity |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005829 | cellular_component | cytosol |
| 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 | 0045329 | biological_process | carnitine biosynthetic process |
| B | 0047105 | molecular_function | 4-trimethylammoniobutyraldehyde dehydrogenase activity |
| C | 0004029 | molecular_function | aldehyde dehydrogenase (NAD+) activity |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0005829 | cellular_component | cytosol |
| 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 | 0045329 | biological_process | carnitine biosynthetic process |
| C | 0047105 | molecular_function | 4-trimethylammoniobutyraldehyde dehydrogenase activity |
| D | 0004029 | molecular_function | aldehyde dehydrogenase (NAD+) activity |
| D | 0005737 | cellular_component | cytoplasm |
| D | 0005829 | cellular_component | cytosol |
| 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 | 0045329 | biological_process | carnitine biosynthetic process |
| D | 0047105 | molecular_function | 4-trimethylammoniobutyraldehyde dehydrogenase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 21 |
| Details | BINDING SITE FOR RESIDUE NAD A 504 |
| Chain | Residue |
| A | ILE162 |
| A | THR240 |
| A | GLY241 |
| A | SER242 |
| A | THR245 |
| A | MET252 |
| A | GLU263 |
| A | LEU264 |
| A | GLY265 |
| A | CYS297 |
| A | GLU400 |
| A | LEU163 |
| A | PHE402 |
| A | PHE466 |
| A | TRP165 |
| A | ASN166 |
| A | LYS189 |
| A | GLY221 |
| A | GLY225 |
| A | SER226 |
| A | PHE239 |
| site_id | AC2 |
| Number of Residues | 21 |
| Details | BINDING SITE FOR RESIDUE NAD B 504 |
| Chain | Residue |
| B | ILE162 |
| B | LEU163 |
| B | TRP165 |
| B | ASN166 |
| B | LYS189 |
| B | GLY221 |
| B | GLY225 |
| B | SER226 |
| B | PHE239 |
| B | THR240 |
| B | GLY241 |
| B | SER242 |
| B | THR245 |
| B | MET252 |
| B | GLU263 |
| B | LEU264 |
| B | GLY265 |
| B | CYS297 |
| B | GLU400 |
| B | PHE402 |
| B | PHE466 |
| site_id | AC3 |
| Number of Residues | 21 |
| Details | BINDING SITE FOR RESIDUE NAD C 504 |
| Chain | Residue |
| C | ILE162 |
| C | LEU163 |
| C | TRP165 |
| C | ASN166 |
| C | LYS189 |
| C | GLY221 |
| C | GLY225 |
| C | SER226 |
| C | PHE239 |
| C | THR240 |
| C | GLY241 |
| C | SER242 |
| C | THR245 |
| C | MET252 |
| C | GLU263 |
| C | LEU264 |
| C | GLY265 |
| C | CYS297 |
| C | GLU400 |
| C | PHE402 |
| C | PHE466 |
| site_id | AC4 |
| Number of Residues | 21 |
| Details | BINDING SITE FOR RESIDUE NAD D 504 |
| Chain | Residue |
| D | ILE162 |
| D | LEU163 |
| D | TRP165 |
| D | ASN166 |
| D | LYS189 |
| D | GLY221 |
| D | GLY225 |
| D | SER226 |
| D | PHE239 |
| D | THR240 |
| D | GLY241 |
| D | SER242 |
| D | THR245 |
| D | MET252 |
| D | GLU263 |
| D | LEU264 |
| D | GLY265 |
| D | CYS297 |
| D | GLU400 |
| D | PHE402 |
| D | PHE466 |
Functional Information from PROSITE/UniProt
| site_id | PS00070 |
| Number of Residues | 12 |
| Details | ALDEHYDE_DEHYDR_CYS Aldehyde dehydrogenases cysteine active site. FlTQGQVCTNGT |
| Chain | Residue | Details |
| A | PHE290-THR301 |
| site_id | PS00687 |
| Number of Residues | 8 |
| Details | ALDEHYDE_DEHYDR_GLU Aldehyde dehydrogenases glutamic acid active site. LELGGKSP |
| Chain | Residue | Details |
| A | LEU262-PRO269 |
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 | GLU263 | |
| B | GLU263 | |
| C | GLU263 | |
| D | GLU263 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | ACT_SITE: Nucleophile => ECO:0000255|PROSITE-ProRule:PRU10008 |
| Chain | Residue | Details |
| A | CYS297 | |
| B | CYS297 | |
| C | CYS297 | |
| D | CYS297 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 12 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:9792097, ECO:0007744|PDB:1BPW |
| Chain | Residue | Details |
| A | LYS189 | |
| D | LYS189 | |
| D | GLY241 | |
| D | GLU400 | |
| A | GLY241 | |
| A | GLU400 | |
| B | LYS189 | |
| B | GLY241 | |
| B | GLU400 | |
| C | LYS189 | |
| C | GLY241 | |
| C | GLU400 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 4 |
| Details | SITE: Transition state stabilizer |
| Chain | Residue | Details |
| A | ASN166 | |
| B | ASN166 | |
| C | ASN166 | |
| D | ASN166 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1a4s |
| Chain | Residue | Details |
| A | ASN166 | |
| A | CYS297 | |
| A | GLU263 |
| site_id | CSA2 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1a4s |
| Chain | Residue | Details |
| B | ASN166 | |
| B | CYS297 | |
| B | GLU263 |
| site_id | CSA3 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1a4s |
| Chain | Residue | Details |
| C | ASN166 | |
| C | CYS297 | |
| C | GLU263 |
| site_id | CSA4 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1a4s |
| Chain | Residue | Details |
| D | ASN166 | |
| D | CYS297 | |
| D | GLU263 |
| site_id | MCSA1 |
| Number of Residues | 4 |
| Details | M-CSA 100 |
| Chain | Residue | Details |
| A | ASN166 | electrostatic stabiliser, hydrogen bond donor |
| A | GLU263 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| A | CYS297 | covalently attached, nucleofuge, nucleophile |
| A | GLU477 | proton acceptor, proton donor, proton relay |
| site_id | MCSA2 |
| Number of Residues | 4 |
| Details | M-CSA 100 |
| Chain | Residue | Details |
| B | ASN166 | electrostatic stabiliser, hydrogen bond donor |
| B | GLU263 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| B | CYS297 | covalently attached, nucleofuge, nucleophile |
| B | GLU477 | proton acceptor, proton donor, proton relay |
| site_id | MCSA3 |
| Number of Residues | 4 |
| Details | M-CSA 100 |
| Chain | Residue | Details |
| C | ASN166 | electrostatic stabiliser, hydrogen bond donor |
| C | GLU263 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| C | CYS297 | covalently attached, nucleofuge, nucleophile |
| C | GLU477 | proton acceptor, proton donor, proton relay |
| site_id | MCSA4 |
| Number of Residues | 4 |
| Details | M-CSA 100 |
| Chain | Residue | Details |
| D | ASN166 | electrostatic stabiliser, hydrogen bond donor |
| D | GLU263 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| D | CYS297 | covalently attached, nucleofuge, nucleophile |
| D | GLU477 | proton acceptor, proton donor, proton relay |
