Chlorine in PDB 4asa: The Structure of Modified Benzoquinone Ansamycins Bound to Yeast N-Terminal HSP90

The structure of The Structure of Modified Benzoquinone Ansamycins Bound to Yeast N-Terminal HSP90, PDB code: 4asa was solved by S.M.Roe, C.Prodromou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	74.48 / 2.25
Space group	P 43 2 2
Cell size a, b, c (Å), α, β, γ (°)	74.480, 74.480, 111.400, 90.00, 90.00, 90.00
R / Rfree (%)	17.931 / 23.452

The binding sites of Chlorine atom in the The Structure of Modified Benzoquinone Ansamycins Bound to Yeast N-Terminal HSP90 (pdb code 4asa). 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 The Structure of Modified Benzoquinone Ansamycins Bound to Yeast N-Terminal HSP90, PDB code: 4asa:

Chlorine binding site 1 out of 1 in the The Structure of Modified Benzoquinone Ansamycins Bound to Yeast N-Terminal HSP90


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Structure of Modified Benzoquinone Ansamycins Bound to Yeast N-Terminal HSP90 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1216 b:53.0 occ:1.00 N A:SER99 3.6 37.5 1.0 NZ A:LYS98 3.8 50.2 1.0 CB A:SER99 3.9 40.5 1.0 CD A:LYS98 4.1 43.7 1.0 CA A:SER99 4.4 37.7 1.0 CA A:LYS98 4.4 39.1 1.0 CE A:LYS98 4.5 51.1 1.0 C A:LYS98 4.5 38.2 1.0 O A:HOH2051 4.6 46.4 1.0 O A:ALA97 4.8 43.5 1.0 O A:HOH2052 4.8 48.7 1.0 CB A:LYS98 4.8 36.7 1.0

R.R.A.Kitson, C.Chang, R.Xiong, H.E.L.Williams, A.L.Davis, W.Lewis, D.L.Dehn, D.Siegel, S.M.Roe, C.Prodromou, D.Ross, C.J.Moody. Synthesis of 19-Substituted Geldanamycins with Altered Conformations and Their Binding to Heat Shock Protein HSP90. Nat.Chem. V. 5 307 2013.
ISSN: ISSN 1755-4330
PubMed: 23511419
DOI: 10.1038/NCHEM.1596