4L2O
Crystal structure of human ALDH3A1 with its selective inhibitor 1-(4-fluorophenyl)sulfonyl-2-methylbenzimidazole
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B, E, G | Aldehyde dehydrogenase | polymer | 469 | 52245.7 | 4 | UniProt (P30838) Pfam (PF00171) Pfam (PF05893) In PDB | Homo sapiens (human) | ALDHIII, Aldehyde dehydrogenase 3, Aldehyde dehydrogenase family 3 member A1 |
2 | A, B, E, G | POTASSIUM ION | non-polymer | 39.1 | 7 | Chemie (K) | |||
3 | A, E, G | ACETATE ION | non-polymer | 59.0 | 4 | Chemie (ACT) | |||
4 | A, B, E, G | NICOTINAMIDE-ADENINE-DINUCLEOTIDE | non-polymer | 663.4 | 4 | Chemie (NAD) | |||
5 | A, B, E, G | 1-[(4-fluorophenyl)sulfonyl]-2-methyl-1H-benzimidazole | non-polymer | 290.3 | 4 | Chemie (1DD) | |||
6 | water | water | 18.0 | 908 | Chemie (HOH) |
Sequence modifications
A, B, E, G: 0 - 452 (UniProt: P30838)
PDB | External Database | Details |
---|---|---|
His -16 | - | expression tag |
His -15 | - | expression tag |
His -14 | - | expression tag |
His -13 | - | expression tag |
His -12 | - | expression tag |
His -11 | - | expression tag |
Ser -10 | - | expression tag |
Ser -9 | - | expression tag |
Gly -8 | - | expression tag |
Leu -7 | - | expression tag |
Val -6 | - | expression tag |
Pro -5 | - | expression tag |
Arg -4 | - | expression tag |
Gly -3 | - | expression tag |
Ser -2 | - | expression tag |
His -1 | - | expression tag |
Ala 133 | Ser 134 | variant |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 4 |
Total formula weight | 208983.0 | |
Non-Polymers* | Number of molecules | 19 |
Total formula weight | 4324.8 | |
All* | Total formula weight | 213307.8 |