4YND: The Discovery of A-893, A New Cell-Active Benzoxazinone Inhibitor of Lysine Methyltransferase SMYD2

PDB ID: 4YNDDownload
MMDB ID: 129498
PDB Deposition Date: 2015/3/9
Updated in MMDB: 2023/10
Experimental Method:
x-ray diffraction
Resolution: 2.79  Å
Source Organism:
Similar Structures:
Biological Unit for 4YND: monomeric; determined by author and by software (PISA)
Molecular Components in 4YND
Label Count Molecule
Protein (1 molecule)
1
N-lysine Methyltransferase Smyd2
(Gene symbol: SMYD2)
Molecule annotation
Chemicals and Non-standard biopolymers (5 molecules)
1
3
ZINC IONZINC ION
2
1
N-cyclohexyl-N~3~-[2-(3,4-dichlorophenyl)ethyl]-N-(2-{[(2R)-2-hydroxy-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethyl]amino}ethyl)-beta-alaninamideN-cyclohexyl-N~3~-[2-(3,4-dichlorophenyl)ethyl]-N-(2-{[(2R)-2-hydroxy-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethyl]amino}ethyl)-beta-alaninamide
3
1
S-ADENOSYLMETHIONINES-ADENOSYLMETHIONINE
* 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