5TEI
Structure of human ALDH1A1 with inhibitor CM039
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Retinal dehydrogenase 1 | polymer | 501 | 54897.6 | 1 | UniProt (P00352) Pfam (PF00171) In PDB | Homo sapiens (Human) | RalDH1,ALDH-E1,ALHDII,Aldehyde dehydrogenase family 1 member A1,Aldehyde dehydrogenase,cytosolic |
| 2 | A | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE | non-polymer | 665.4 | 1 | Chemie (NAI) | |||
| 3 | A | YTTERBIUM (III) ION | non-polymer | 173.0 | 2 | Chemie (YB) | |||
| 4 | A | 6-{[(3-fluorophenyl)methyl]sulfanyl}-5-(2-methylphenyl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one | non-polymer | 366.4 | 1 | Chemie (M39) | |||
| 5 | A | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 6 | water | water | 18.0 | 149 | Chemie (HOH) |
Sequence modifications
A: 1 - 501 (UniProt: P00352)
| PDB | External Database | Details |
|---|---|---|
| Ser 121 | Asn 121 | engineered mutation |
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 | 1413.4 | |
| All* | Total formula weight | 56311.0 |
