4X4L
Structure of human ALDH1A1 with inhibitor CM037
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Retinal dehydrogenase 1 | polymer | 501 | 54897.6 | 1 | UniProt (P00352) Pfam (PF00171) | Homo sapiens (Human) | RalDH1,ALDH-E1,ALHDII,Aldehyde dehydrogenase family 1 member A1,Aldehyde dehydrogenase,cytosolic |
| 2 | B, C (A) | YTTERBIUM (III) ION | non-polymer | 173.0 | 2 | Chemie (YB) PubChem (105055) | |||
| 3 | D (A) | ethyl ({4-oxo-3-[3-(pyrrolidin-1-yl)propyl]-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetate | non-polymer | 431.6 | 1 | Chemie (3XG) PubChem (5049161) | |||
| 4 | E, F, G, H (A) | CHLORIDE ION | non-polymer | 35.5 | 4 | Chemie (CL) PubChem (312) | |||
| 5 | I (A) | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE | non-polymer | 665.4 | 1 | Chemie (NAI) PubChem (16219774) PubChem (928) PubChem (44119956) PubChem (44415182) PubChem (439153) PubChem (124934832) PubChem (126455899) PubChem (94865921) PubChem (94865923) PubChem (134693949) PubChem (12309339) PubChem (12309347) PubChem (124432988) PubChem (140875346) PubChem (11250888) PubChem (12309341) PubChem (124934831) PubChem (124934833) PubChem (162951601) PubChem (162951600) PubChem (164575491) PubChem (169545638) PubChem (170905224) PubChem (174316169) PubChem (129607000) PubChem (129628338) PubChem (146167236) PubChem (162951602) PubChem (174084875) | |||
| 6 | J (A) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) PubChem (923) | |||
| 7 | K (A) | water | water | 18.0 | 184 | 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 | 9 |
| Total formula weight | 1607.9 | |
| All* | Total formula weight | 56505.5 |
