5TEI: Structure of human ALDH1A1 with inhibitor CM039

PDB ID: 5TEIDownload
MMDB ID: 154788
PDB Deposition Date: 2016/9/21
Updated in MMDB: 2019/12
Experimental Method:
x-ray diffraction
Resolution: 2.1  Å
Source Organism:
Similar Structures:
Biological Unit for 5TEI: tetrameric; determined by author and by software (PISA)
Molecular Components in 5TEI
Label Count Molecule
Proteins (4 molecules)
4
Retinal Dehydrogenase 1
(Gene symbol: ALDH1A1)
Molecule annotation
Chemicals and Non-standard biopolymers (12 molecules)
1
4
1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE
2
4
6-{[(3-fluorophenyl)methyl]sulfanyl}-5-(2-methylphenyl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one6-{[(3-fluorophenyl)methyl]sulfanyl}-5-(2-methylphenyl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
3
4
CHLORIDE IONCHLORIDE ION
* Click molecule labels to explore molecular sequence information.
Citing MMDB
Madej T, Lanczycki CJ, Zhang D, Thiessen PA, Geer RC, Marchler-Bauer A, Bryant SH. " MMDB and VAST+: tracking structural similarities between macromolecular complexes. Nucleic Acids Res. 2014 Jan; 42(Database issue):D297-303