8T0N
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 | 54897.6 | 1 | UniProt (P00352) Pfam (PF00171) | Homo sapiens (Human) | 3-deoxyglucosone dehydrogenase,ALDH-E1,ALHDII,Aldehyde dehydrogenase family 1 member A1,Aldehyde dehydrogenase,cytosolic,Retinal dehydrogenase 1,RALDH 1,RalDH1 |
| 2 | B, C (A) | YTTERBIUM (III) ION | non-polymer | 173.0 | 2 | Chemie (YB) | |||
| 3 | D (A) | 2-methoxy-6-{[(1-propyl-1H-benzimidazol-2-yl)amino]methyl}phenol | non-polymer | 311.4 | 1 | Chemie (Y0B) | |||
| 4 | E (A) | NICOTINAMIDE-ADENINE-DINUCLEOTIDE | non-polymer | 663.4 | 1 | Chemie (NAD) | |||
| 5 | F (A) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 6 | G (A) | water | water | 18.0 | 245 | Chemie (HOH) |
Sequence modifications
A: 1 - 501 (UniProt: P00352)
| PDB | External Database | Details |
|---|---|---|
| Ser 121 | Asn 121 | variant |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 54897.6 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 1356.3 | |
| All* | Total formula weight | 56253.9 |
