Chlorine in PDB 5een: Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 in Complex with Belinostat

All present enzymatic activity of Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 in Complex with Belinostat:
3.5.1.98;

The structure of Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 in Complex with Belinostat, PDB code: 5een was solved by Y.Hai, D.W.Christianson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	17.06 / 1.86
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	75.972, 95.483, 96.336, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 22.4

The structure of Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 in Complex with Belinostat also contains other interesting chemical elements:

Potassium	(K)	4 atoms
Zinc	(Zn)	2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 in Complex with Belinostat (pdb code 5een). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 in Complex with Belinostat, PDB code: 5een:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 in Complex with Belinostat


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 in Complex with Belinostat within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl805 b:52.5 occ:1.00 NH2 A:ARG736 3.6 30.2 1.0 O A:LEU557 4.5 18.4 1.0 O A:THR558 4.7 20.9 1.0 CZ A:ARG736 4.7 29.4 1.0 C A:THR558 4.9 20.9 1.0 NH1 A:ARG736 4.9 29.9 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 in Complex with Belinostat


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Danio Rerio Histone Deacetylase 6 Catalytic Domain 2 in Complex with Belinostat within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl806 b:53.7 occ:1.00 NH1 A:ARG736 4.1 29.9 1.0 CG2 A:THR600 4.4 21.2 1.0 CD1 A:LEU604 4.9 17.9 1.0

Y.Hai, D.W.Christianson. Histone Deacetylase 6 Structure and Molecular Basis of Catalysis and Inhibition. Nat.Chem.Biol. V. 12 741 2016.
ISSN: ESSN 1552-4469
PubMed: 27454933
DOI: 10.1038/NCHEMBIO.2134