4FR8
Crystal structure of human aldehyde dehydrogenase-2 in complex with nitroglycerin
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D, E... (A, B, C, D, E...) | Aldehyde dehydrogenase, mitochondrial | polymer | 500 | 54466.5 | 8 | UniProt (P05091) Pfam (PF00171) | Homo sapiens (human) | ALDH class 2, ALDH-E2, ALDHI |
| 2 | I (A) | propane-1,2,3-triyl trinitrate | non-polymer | 227.1 | 1 | Chemie (TNG) | |||
| 3 | EA, J, R, W (F, A, C, D) | NICOTINAMIDE-ADENINE-DINUCLEOTIDE | non-polymer | 663.4 | 4 | Chemie (NAD) | |||
| 4 | BA, FA, IA, K, MA... (E, F, G, A, H...) | MAGNESIUM ION | non-polymer | 24.3 | 8 | Chemie (MG) | |||
| 5 | DA, L, P, T, V... (E, A, B, C, D) | UREA | non-polymer | 60.1 | 6 | Chemie (URE) | |||
| 6 | CA, GA, JA, M, NA... (E, F, G, A, H...) | SODIUM ION | non-polymer | 23.0 | 8 | Chemie (NA) | |||
| 7 | AA, HA, LA, N (E, G, H, B) | ADENOSINE-5'-DIPHOSPHATE | non-polymer | 427.2 | 4 | Chemie (ADP) | |||
| 8 | KA (G) | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL | non-polymer | 209.2 | 1 | Chemie (BTB) | |||
| 9 | OA, PA, QA, RA, SA... (A, B, C, D, E...) | water | water | 18.0 | 2856 | Chemie (HOH) |
Sequence modifications
A, B, C, D, E, F, G, H: 1 - 500 (UniProt: P05091)
| PDB | External Database | Details |
|---|---|---|
| Gln 268 | Glu 285 | engineered mutation |
| Ser 301 | Cys 318 | engineered mutation |
| Ser 303 | Cys 320 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 8 |
| Total formula weight | 435732.2 | |
| Non-Polymers* | Number of molecules | 32 |
| Total formula weight | 5537.5 | |
| All* | Total formula weight | 441269.7 |
