Chlorine in PDB 5ar0: HSP72 with Adenosine-Derived Inhibitor

All present enzymatic activity of HSP72 with Adenosine-Derived Inhibitor:
3.6.3.51;

The structure of HSP72 with Adenosine-Derived Inhibitor, PDB code: 5ar0 was solved by M.D.Cheeseman, I.M.Westwood, O.Barbeau, M.G.Rowlands, A.M.Jones, F.Jeganathan, R.Burke, S.E.Dobson, P.Workman, I.Collins, R.L.M.Van Montfort, K.Jones, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.49 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	47.880, 80.545, 92.979, 90.00, 90.00, 90.00
R / Rfree (%)	17.25 / 21.04

The binding sites of Chlorine atom in the HSP72 with Adenosine-Derived Inhibitor (pdb code 5ar0). 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 HSP72 with Adenosine-Derived Inhibitor, PDB code: 5ar0:

Chlorine binding site 1 out of 1 in the HSP72 with Adenosine-Derived Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of HSP72 with Adenosine-Derived Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1390 b:73.0 occ:1.00 NH2 A:ARG299 3.0 23.1 1.0 O A:SER276 3.6 32.0 1.0 NH1 A:ARG299 3.7 23.3 1.0 CZ A:ARG299 3.8 33.5 1.0 C A:SER276 3.8 30.1 1.0 O A:SER275 4.1 22.2 1.0 CA A:SER276 4.1 24.5 1.0 N A:SER277 4.5 25.9 1.0 C A:SER275 4.8 23.7 1.0 N A:SER276 4.8 21.9 1.0 CA A:SER277 5.0 26.8 1.0

M.D.Cheeseman, I.M.Westwood, O.Barbeau, M.G.Rowlands, S.Dobson, A.M.Jones, F.Jeganathan, R.Burke, N.Kadi, P.Workman, I.Collins, R.L.M.Van Montfort, K.Jones. Exploiting Protein Conformational Change to Optimize Adenosine-Derived Inhibitors of HSP70. J.Med.Chem. V. 59 4625 2016.
ISSN: ISSN 0022-2623
PubMed: 27119979
DOI: 10.1021/ACS.JMEDCHEM.5B02001