8T0T
Structure of Compound 4 bound to human ALDH1A1
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Aldehyde dehydrogenase 1A1 | polymer | 501 | 54924.6 | 1 | UniProt (P00352) Pfam (PF00171) | Homo sapiens (human) | RalDH1,ALDH-E1,ALHDII,Aldehyde dehydrogenase family 1 member A1,Aldehyde dehydrogenase,cytosolic |
| 2 | B (A) | YTTERBIUM (III) ION | non-polymer | 173.0 | 1 | Chemie (YB) | |||
| 3 | C (A) | 1-(4-{6-fluoro-3-[4-(methanesulfonyl)piperazine-1-carbonyl]quinolin-4-yl}phenyl)cyclopropane-1-carbonitrile | non-polymer | 478.5 | 1 | Chemie (Y6E) | |||
| 4 | D (A) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 5 | E (A) | water | water | 18.0 | 277 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 54924.6 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 687.0 | |
| All* | Total formula weight | 55611.6 |
