4V25: VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context- dependent cytostasis in cancer cells

PDB ID: 4V25Download
MMDB ID: 125287
PDB Deposition Date: 2014/10/6
Updated in MMDB: 2014/12
Experimental Method:
x-ray diffraction
Resolution: 2.6  Å
Source Organism:
Similar Structures:
Biological Unit for 4V25: dimeric; determined by author and by software (PISA)
Molecular Components in 4V25
Label Count Molecule
Proteins (2 molecules)
2
[pyruvate Dehydrogenase (Acetyl-transferring)] Kinase Isozyme 2, Mitochondrial
(Gene symbol: PDK2)
Molecule annotation
Chemicals and Non-standard biopolymers (6 molecules)
1
2
N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDEN-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE
2
2
MAGNESIUM IONMAGNESIUM ION
3
2
N-[4-(2-chloro-5-methylpyrimidin-4-yl)phenyl]-N-(4-{[(difluoroacetyl)amino]methyl}benzyl)-2,4-dihydroxybenzamideN-[4-(2-chloro-5-methylpyrimidin-4-yl)phenyl]-N-(4-{[(difluoroacetyl)amino]methyl}benzyl)-2,4-dihydroxybenzamide
* 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