6VEI: Crystal Structure of Human Cytosolic Isocitrate Dehydrogenase (IDH1) R132H Mutant in Complex with NADPH and AG-881 (Vorasidenib) Inhibitor

PDB ID: 6VEIDownload
MMDB ID: 183955
PDB Deposition Date: 2020/1/2
Updated in MMDB: 2023/10
Experimental Method:
x-ray diffraction
Resolution: 2.1  Å
Source Organism:
Similar Structures:
Biological Unit for 6VEI: dimeric; determined by author
Molecular Components in 6VEI
Label Count Molecule
Proteins (2 molecules)
2
Isocitrate Dehydrogenase [nadp] Cytoplasmic
(Gene symbol: IDH1)
Molecule annotation
Chemicals and Non-standard biopolymers (12 molecules)
1
2
NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATENADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
2
1
SULFATE IONSULFATE ION
3
1
3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol
4
4
DI(HYDROXYETHYL)ETHERDI(HYDROXYETHYL)ETHER
5
1
ACETATE IONACETATE ION
6
1
MALONIC ACIDMALONIC ACID
7
1
6-(6-chloropyridin-2-yl)-N2,N4-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine6-(6-chloropyridin-2-yl)-N2,N4-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
8
1
D-MALATED-MALATE
* 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