4WPN: Structure of human ALDH1A1 with inhibitor CM053

PDB ID: 4WPNDownload
MMDB ID: 126945
PDB Deposition Date: 2014/10/20
Updated in MMDB: 2023/12
Experimental Method:
x-ray diffraction
Resolution: 1.95  Å
Source Organism:
Similar Structures:
Biological Unit for 4WPN: tetrameric; determined by author and by software (PISA)
Molecular Components in 4WPN
Label Count Molecule
Proteins (4 molecules)
4
Retinal Dehydrogenase 1
(Gene symbol: ALDH1A1)
Molecule annotation
Chemicals and Non-standard biopolymers (16 molecules)
1
4
1-{[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperidine-4-carboxamide1-{[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperidine-4-carboxamide
2
8
CHLORIDE IONCHLORIDE ION
3
4
YTTERBIUM (III) IONYTTERBIUM (III) 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