3SZB
Crystal structure of human ALDH3A1 modified with the beta-elimination product of Aldi-1; 1-phenyl- 2-propen-1-one
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004028 | molecular_function | 3-chloroallyl aldehyde dehydrogenase activity |
| A | 0004029 | molecular_function | aldehyde dehydrogenase (NAD+) activity |
| A | 0004030 | molecular_function | aldehyde dehydrogenase [NAD(P)+] activity |
| A | 0005515 | molecular_function | protein binding |
| A | 0005615 | cellular_component | extracellular space |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005783 | cellular_component | endoplasmic reticulum |
| A | 0005829 | cellular_component | cytosol |
| A | 0005886 | cellular_component | plasma membrane |
| A | 0006081 | biological_process | cellular aldehyde metabolic process |
| A | 0006629 | biological_process | lipid metabolic process |
| A | 0006805 | biological_process | xenobiotic metabolic process |
| A | 0008106 | molecular_function | alcohol dehydrogenase (NADP+) activity |
| A | 0016020 | cellular_component | membrane |
| 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 |
| B | 0004028 | molecular_function | 3-chloroallyl aldehyde dehydrogenase activity |
| B | 0004029 | molecular_function | aldehyde dehydrogenase (NAD+) activity |
| B | 0004030 | molecular_function | aldehyde dehydrogenase [NAD(P)+] activity |
| B | 0005515 | molecular_function | protein binding |
| B | 0005615 | cellular_component | extracellular space |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005783 | cellular_component | endoplasmic reticulum |
| B | 0005829 | cellular_component | cytosol |
| B | 0005886 | cellular_component | plasma membrane |
| B | 0006081 | biological_process | cellular aldehyde metabolic process |
| B | 0006629 | biological_process | lipid metabolic process |
| B | 0006805 | biological_process | xenobiotic metabolic process |
| B | 0008106 | molecular_function | alcohol dehydrogenase (NADP+) activity |
| B | 0016020 | cellular_component | membrane |
| 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 |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE K A 602 |
| Chain | Residue |
| A | LYS277 |
| A | THR321 |
| A | ASP322 |
| A | HOH459 |
| A | HOH643 |
| A | HOH669 |
| A | HOH870 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE K A 603 |
| Chain | Residue |
| A | HOH562 |
| B | HOH1012 |
| A | LYS439 |
| A | TYR442 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE ACT A 701 |
| Chain | Residue |
| A | ASN434 |
| A | ASP435 |
| A | LYS439 |
| A | TYR442 |
| A | HOH513 |
| B | ARG230 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE I1E A 1001 |
| Chain | Residue |
| A | GLU61 |
| A | ASN114 |
| A | TYR115 |
| A | CYS243 |
| A | HOH636 |
| A | HOH949 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE K B 601 |
| Chain | Residue |
| B | GLU79 |
| B | TRP80 |
| B | ALA82 |
| B | HOH521 |
| B | HOH556 |
| site_id | AC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE K B 603 |
| Chain | Residue |
| B | LYS439 |
| B | TYR442 |
| B | HOH460 |
| B | HOH754 |
| B | HOH802 |
| B | HOH911 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE ACT B 701 |
| Chain | Residue |
| A | ARG230 |
| B | ASN434 |
| B | ASP435 |
| B | LYS439 |
| B | TYR442 |
| B | HOH467 |
| site_id | AC8 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE I1E B 1001 |
| Chain | Residue |
| B | ASN114 |
| B | TYR115 |
| B | THR242 |
| B | CYS243 |
| B | ILE394 |
| B | HOH790 |
| B | HOH1005 |
Functional Information from PROSITE/UniProt
| site_id | PS00070 |
| Number of Residues | 12 |
| Details | ALDEHYDE_DEHYDR_CYS Aldehyde dehydrogenases cysteine active site. FmNSGQTCVAPD |
| Chain | Residue | Details |
| A | PHE236-ASP247 |
| site_id | PS00687 |
| Number of Residues | 8 |
| Details | ALDEHYDE_DEHYDR_GLU Aldehyde dehydrogenases glutamic acid active site. LELGGKSP |
| Chain | Residue | Details |
| A | LEU208-PRO215 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | ACT_SITE: ACT_SITE => ECO:0000269|PubMed:22021038 |
| Chain | Residue | Details |
| A | GLU209 | |
| A | CYS243 | |
| B | GLU209 | |
| B | CYS243 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000250 |
| Chain | Residue | Details |
| A | GLY187 | |
| B | GLY187 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | MOD_RES: N-acetylserine => ECO:0007744|PubMed:22814378 |
| Chain | Residue | Details |
| A | SER1 | |
| B | SER1 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 4 |
| Details | MOD_RES: N6-acetyllysine => ECO:0007744|PubMed:19608861 |
| Chain | Residue | Details |
| A | LYS177 | |
| A | LYS193 | |
| B | LYS177 | |
| B | LYS193 |
