7JS8: STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH AN ETHYL KETONE INHIBITOR CONTAINING A SPIRO-BICYCLIC GROUP (COMPOUND 22)

PDB ID: 7JS8Download
MMDB ID: 205480
PDB Deposition Date: 2020/8/14
Updated in MMDB: 2021/08
Experimental Method:
x-ray diffraction
Resolution: 1.634  Å
Source Organism:
Similar Structures:
Biological Unit for 7JS8: monomeric; determined by author and by software (PISA)
Molecular Components in 7JS8
Label Count Molecule
Protein (1 molecule)
1
Histone Deacetylase 2
(Gene symbol: HDAC2)
Molecule annotation
Chemicals and Non-standard biopolymers (11 molecules)
1
1
ZINC IONZINC ION
2
4
SULFATE IONSULFATE ION
3
2
CALCIUM IONCALCIUM ION
4
3
DI(HYDROXYETHYL)ETHERDI(HYDROXYETHYL)ETHER
5
1
(1S)-N-{(1S)-7,7-dihydroxy-1-[4-(2-methylquinolin-6-yl)-1H-imidazol-2-yl]nonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide(1S)-N-{(1S)-7,7-dihydroxy-1-[4-(2-methylquinolin-6-yl)-1H-imidazol-2-yl]nonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide
* 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