8T0T: Structure of Compound 4 bound to human ALDH1A1

PDB ID: 8T0TDownload
MMDB ID: 246165
PDB Deposition Date: 2023/6/1
Updated in MMDB: 2024/05
Experimental Method:
x-ray diffraction
Resolution: 1.75  Å
Source Organism:
Similar Structures:
Biological Unit for 8T0T: tetrameric; determined by author and by software (PISA)
Molecular Components in 8T0T
Label Count Molecule
Proteins (4 molecules)
4
Aldehyde Dehydrogenase 1A1
(Gene symbol: ALDH1A1)
Molecule annotation
Chemicals and Non-standard biopolymers (8 molecules)
1
4
1-(4-{6-fluoro-3-[4-(methanesulfonyl)piperazine-1-carbonyl]quinolin-4-yl}phenyl)cyclopropane-1-carbonitrile1-(4-{6-fluoro-3-[4-(methanesulfonyl)piperazine-1-carbonyl]quinolin-4-yl}phenyl)cyclopropane-1-carbonitrile
2
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