Chlorine in PDB 5g0i: Crystal Structure of Danio Rerio HDAC6 CD1 and CD2 (Linker Cleaved) in Complex with Nexturastat A

The structure of Crystal Structure of Danio Rerio HDAC6 CD1 and CD2 (Linker Cleaved) in Complex with Nexturastat A, PDB code: 5g0i was solved by Y.Miyake, J.J.Keusch, L.Wang, M.Saito, D.Hess, X.Wang, B.J.Melancon, P.Helquist, H.Gut, P.Matthias, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.58 / 1.99
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	162.560, 52.830, 186.420, 90.00, 108.92, 90.00
R / Rfree (%)	17.39 / 20.03

The structure of Crystal Structure of Danio Rerio HDAC6 CD1 and CD2 (Linker Cleaved) in Complex with Nexturastat A also contains other interesting chemical elements:

Potassium	(K)	8 atoms
Zinc	(Zn)	4 atoms

The binding sites of Chlorine atom in the Crystal Structure of Danio Rerio HDAC6 CD1 and CD2 (Linker Cleaved) in Complex with Nexturastat A (pdb code 5g0i). 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 Danio Rerio HDAC6 CD1 and CD2 (Linker Cleaved) in Complex with Nexturastat A, PDB code: 5g0i:

Chlorine binding site 1 out of 1 in the Crystal Structure of Danio Rerio HDAC6 CD1 and CD2 (Linker Cleaved) in Complex with Nexturastat A


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 HDAC6 CD1 and CD2 (Linker Cleaved) in Complex with Nexturastat A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1810 b:0.5 occ:1.00 O A:HOH2293 3.1 49.9 1.0 OD1 A:ASP527 3.2 81.3 1.0 O A:ILE532 3.6 49.8 1.0 O A:ASN523 3.7 59.8 1.0 OD1 A:ASN523 3.9 76.7 1.0 CA A:GLY526 4.0 52.4 1.0 C A:GLY526 4.1 57.1 1.0 CG A:ASP527 4.2 80.4 1.0 N A:ASP527 4.2 56.7 1.0 CZ3 A:TRP459 4.2 66.5 1.0 CA A:ASN523 4.3 59.2 1.0 C A:ASN523 4.4 62.2 1.0 CE3 A:TRP459 4.5 65.3 1.0 CG A:ASN523 4.5 83.2 1.0 CA A:PHE533 4.5 45.5 1.0 C A:ILE532 4.7 49.0 1.0 O A:GLY526 4.7 55.0 1.0 OD2 A:ASP527 4.7 92.0 1.0 CH2 A:TRP459 4.7 68.7 1.0 N A:GLY526 4.8 54.3 1.0 O A:LEU522 4.8 58.5 1.0 CA A:ASP527 4.9 57.5 1.0 CB A:PHE533 5.0 46.4 1.0 CB A:ASN523 5.0 61.2 1.0

Y.Miyake, J.J.Keusch, L.Wang, M.Saito, D.Hess, X.Wang, B.J.Melancon, P.Helquist, H.Gut, P.Matthias. Structural Insights Into HDAC6 Tubulin Deacetylation and Its Selective Inhibition Nat.Chem.Biol. V. 12 748 2016.
ISSN: ISSN 1552-4450
PubMed: 27454931
DOI: 10.1038/NCHEMBIO.2140