7A6Q
Crystal structure of human aldehyde dehydrogenase 1A3 in complex with selective NR6 inhibitor compound
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Aldehyde dehydrogenase family 1 member A3 | polymer | 512 | 56177.3 | 2 | UniProt (P47895) Pfam (PF00171) | Homo sapiens (Human) | Aldehyde dehydrogenase 6,Retinaldehyde dehydrogenase 3,RalDH3 |
| 2 | C, L (A, B) | NICOTINAMIDE-ADENINE-DINUCLEOTIDE | non-polymer | 663.4 | 2 | Chemie (NAD) | |||
| 3 | D, M (A, B) | 3-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzenecarbonitrile | non-polymer | 295.3 | 2 | Chemie (R2Q) | |||
| 4 | E, I, Q, R (A, B) | SODIUM ION | non-polymer | 23.0 | 4 | Chemie (NA) | |||
| 5 | F, G, H, J, K... (A, B) | GLYCEROL | non-polymer | 92.1 | 7 | Chemie (GOL) | |||
| 6 | O (B) | (3-oxidanylidene-3-sodiooxy-propanoyl)oxysodium | non-polymer | 148.0 | 1 | Chemie (R2K) | |||
| 7 | S, T (A, B) | water | water | 18.0 | 38 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 112354.6 | |
| Non-Polymers* | Number of molecules | 16 |
| Total formula weight | 2802.2 | |
| All* | Total formula weight | 115156.7 |
