Chlorine in PDB 2vcg: Crystal Structure of A Hdac-Like Protein Hdah From Bordetella Sp. with the Bound Inhibitor St-17

The structure of Crystal Structure of A Hdac-Like Protein Hdah From Bordetella Sp. with the Bound Inhibitor St-17, PDB code: 2vcg was solved by A.Dickmanns, A.Strasser, R.Ficner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	117.85 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	67.664, 93.633, 121.664, 90.00, 103.99, 90.00
R / Rfree (%)	15.6 / 20.6

The structure of Crystal Structure of A Hdac-Like Protein Hdah From Bordetella Sp. with the Bound Inhibitor St-17 also contains other interesting chemical elements:

Bromine	(Br)	4 atoms
Potassium	(K)	8 atoms
Zinc	(Zn)	5 atoms

The binding sites of Chlorine atom in the Crystal Structure of A Hdac-Like Protein Hdah From Bordetella Sp. with the Bound Inhibitor St-17 (pdb code 2vcg). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of A Hdac-Like Protein Hdah From Bordetella Sp. with the Bound Inhibitor St-17, PDB code: 2vcg:

Chlorine binding site 1 out of 1 in the Crystal Structure of A Hdac-Like Protein Hdah From Bordetella Sp. with the Bound Inhibitor St-17


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 A Hdac-Like Protein Hdah From Bordetella Sp. with the Bound Inhibitor St-17 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1382 b:21.4 occ:1.00 ZN D:ZN1378 2.3 21.6 1.0 O D:HOH2441 2.6 53.0 1.0 N D:HIS5 3.3 26.3 1.0 CD2 D:HIS5 3.4 27.4 1.0 CD2 D:HIS6 3.4 22.1 1.0 NE2 D:HIS5 3.4 27.6 1.0 NE2 D:HIS6 3.4 20.3 1.0 CA D:HIS4 3.5 27.2 1.0 ND1 D:HIS64 3.5 14.8 1.0 ND1 D:HIS4 3.7 28.5 1.0 CG2 D:VAL337 3.7 17.0 1.0 O D:HOH2006 3.7 17.1 1.0 CB D:HIS4 3.7 27.7 1.0 CG D:HIS5 3.7 26.9 1.0 CE1 D:HIS5 3.7 26.4 1.0 CE1 D:HIS64 3.8 15.0 1.0 C D:HIS4 3.9 26.7 1.0 ND1 D:HIS5 3.9 27.1 1.0 CG D:HIS4 4.1 27.7 1.0 O2 D:GOL1376 4.2 46.1 1.0 CA D:HIS5 4.4 26.1 1.0 CB D:HIS5 4.5 26.2 1.0 O D:HIS3 4.5 28.0 1.0 CG D:HIS64 4.6 14.7 1.0 CG D:HIS6 4.6 22.6 1.0 CE1 D:HIS6 4.6 21.4 1.0 N D:HIS6 4.7 25.6 1.0 N D:HIS4 4.7 27.6 1.0 O D:HOH2442 4.7 26.6 1.0 CE1 D:HIS4 4.8 29.6 1.0 NE2 D:HIS64 5.0 14.4 1.0

S.Schaefer, L.Saunders, E.Eliseeva, A.Velena, M.Jung, A.Schwienhorst, A.Strasser, A.Dickmanns, R.Ficner, S.Schlimme, W.Sippl, E.Verdin, M.Jung. Phenylalanine-Containing Hydroxamic Acids As Selective Inhibitors of Class Iib Histone Deacetylases (Hdacs). Bioorg.Med.Chem. V. 16 2011 2008.
ISSN: ISSN 0968-0896
PubMed: 18054239
DOI: 10.1016/J.BMC.2007.10.092