5B8D: Crystal structure of a low occupancy fragment candidate (N-(4-Methyl-1,3-thiazol-2-yl)propanamide) bound adjacent to the ubiquitin binding pocket of the HDAC6 zinc-finger domain

Citation:
Abstract
Inhibitors of HDAC6 have attractive potential in numerous cancers. HDAC6 inhibitors to date target the catalytic domains, but targeting the unique zinc-finger ubiquitin-binding domain (Zf-UBD) of HDAC6 may be an attractive alternative strategy. We developed X-ray crystallography and biophysical assays to identify and characterize small molecules capable of binding to the Zf-UBD and competing with ubiquitin binding. Our results revealed two adjacent ligand-able pockets of HDAC6 Zf-UBD and the first functional ligands for this domain.
PDB ID: 5B8DDownload
MMDB ID: 141240
PDB Deposition Date: 2016/6/14
Updated in MMDB: 2016/08
Experimental Method:
x-ray diffraction
Resolution: 1.05  Å
Source Organism:
Similar Structures:
Biological Unit for 5B8D: monomeric; determined by author and by software (PISA)
Molecular Components in 5B8D
Label Count Molecule
Protein (1 molecule)
1
Histone Deacetylase 6(Gene symbol: HDAC6)
Molecule annotation
Chemicals (43 molecules)
1
3
2
2
3
1
4
36
Molecule information is not avaliable.
5
1
* Click molecule labels to explore molecular sequence information.

Citing MMDB
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