7MOS: Structure of HDAC2 in complex with a macrocyclic inhibitor (compound 4)

PDB ID: 7MOSDownload
MMDB ID: 204566
PDB Deposition Date: 2021/5/3
Updated in MMDB: 2021/07
Experimental Method:
x-ray diffraction
Resolution: 1.704  Å
Source Organism:
Similar Structures:
Biological Unit for 7MOS: monomeric; determined by author and by software (PISA)
Molecular Components in 7MOS
Label Count Molecule
Protein (1 molecule)
1
Histone Deacetylase 2
(Gene symbol: HDAC2)
Molecule annotation
Chemicals and Non-standard biopolymers (12 molecules)
1
1
ZINC IONZINC ION
2
5
SULFATE IONSULFATE ION
3
2
CALCIUM IONCALCIUM ION
4
3
DI(HYDROXYETHYL)ETHERDI(HYDROXYETHYL)ETHER
5
1
(3S,18S,20aR)-18-(6,6-dihydroxyoctyl)-1,5,6,7,8,18,19,20a-octahydro-4H-14,17-epiminoazeto[1,2-g][1,7,10,13]benzoxatriazacycloheptadecin-20(2H)-one(3S,18S,20aR)-18-(6,6-dihydroxyoctyl)-1,5,6,7,8,18,19,20a-octahydro-4H-14,17-epiminoazeto[1,2-g][1,7,10,13]benzoxatriazacycloheptadecin-20(2H)-one
* 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