6WBZ: Structure of Human HDAC2 in complex with an ethyl ketone inhibitor containing a spiro-bicyclic group

PDB ID: 6WBZDownload
MMDB ID: 187326
PDB Deposition Date: 2020/3/28
Updated in MMDB: 2020/06
Experimental Method:
x-ray diffraction
Resolution: 1.32  Å
Source Organism:
Similar Structures:
Biological Unit for 6WBZ: monomeric; determined by author and by software (PISA)
Molecular Components in 6WBZ
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-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]nonyl}-6-ethyl-6-azaspiro[2.5]octane-1-carboxamide(1S)-N-{(1S)-7,7-dihydroxy-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]nonyl}-6-ethyl-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