8T0N: Structure of Compound 4 bound to human ALDH1A1

PDB ID: 8T0NDownload
MMDB ID: 246163
PDB Deposition Date: 2023/6/1
Updated in MMDB: 2024/05
Experimental Method:
x-ray diffraction
Resolution: 1.86  Å
Source Organism:
Similar Structures:
Biological Unit for 8T0N: tetrameric; determined by author
Molecular Components in 8T0N
Label Count Molecule
Proteins (4 molecules)
4
Aldehyde Dehydrogenase 1A1
(Gene symbol: ALDH1A1)
Molecule annotation
Chemicals and Non-standard biopolymers (16 molecules)
1
4
YTTERBIUM (III) IONYTTERBIUM (III) ION
2
4
2-methoxy-6-{[(1-propyl-1H-benzimidazol-2-yl)amino]methyl}phenol2-methoxy-6-{[(1-propyl-1H-benzimidazol-2-yl)amino]methyl}phenol
3
4
NICOTINAMIDE-ADENINE-DINUCLEOTIDENICOTINAMIDE-ADENINE-DINUCLEOTIDE
4
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