Chlorine in PDB 5mks: HSP72-Nbd Bound to Compound Tci 8 - TYR15 in Down-Conformation

The structure of HSP72-Nbd Bound to Compound Tci 8 - TYR15 in Down-Conformation, PDB code: 5mks was solved by J.Pettinger, I.M.Westwood, N.Cronin, Y.-V.Le Bihan, R.L.M.Van Montfort, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.67 / 1.99
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	46.637, 83.672, 99.210, 90.00, 90.00, 90.00
R / Rfree (%)	20.1 / 25.5

The binding sites of Chlorine atom in the HSP72-Nbd Bound to Compound Tci 8 - TYR15 in Down-Conformation (pdb code 5mks). 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-Nbd Bound to Compound Tci 8 - TYR15 in Down-Conformation, PDB code: 5mks:

Chlorine binding site 1 out of 1 in the HSP72-Nbd Bound to Compound Tci 8 - TYR15 in Down-Conformation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of HSP72-Nbd Bound to Compound Tci 8 - TYR15 in Down-Conformation within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:39.0 occ:1.00 CL A:TI8401 0.0 39.0 1.0 C18 A:TI8401 1.7 34.9 1.0 C19 A:TI8401 2.7 36.1 1.0 C17 A:TI8401 2.7 35.0 1.0 NH1 A:ARG272 3.4 29.0 1.0 CZ A:ARG272 3.5 42.4 1.0 NH2 A:ARG272 3.7 30.2 1.0 C20 A:TI8401 4.0 32.7 1.0 C16 A:TI8401 4.0 34.5 1.0 O A:HOH820 4.0 37.9 1.0 NE A:ARG272 4.1 27.2 1.0 C15 A:TI8401 4.5 30.0 1.0 CD A:ARG272 4.9 19.6 1.0

J.Pettinger, Y.V.Le Bihan, M.Widya, R.L.Van Montfort, K.Jones, M.D.Cheeseman. An Irreversible Inhibitor of HSP72 That Unexpectedly Targets Lysine-56. Angew. Chem. Int. Ed. Engl. V. 56 3536 2017.
ISSN: ESSN 1521-3773
PubMed: 28225177
DOI: 10.1002/ANIE.201611907