Magnesium in PDB 2yi6: Structural Characterization of 5-Aryl-4-(5-Substituted-2- 4-Dihydroxyphenyl)-1,2,3-Thiadiazole HSP90 Inhibitors.

The structure of Structural Characterization of 5-Aryl-4-(5-Substituted-2- 4-Dihydroxyphenyl)-1,2,3-Thiadiazole HSP90 Inhibitors., PDB code: 2yi6 was solved by S.M.Roe, C.Prodromou, L.H.Pearl, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	66.37 / 1.80
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	65.155, 88.830, 99.635, 90.00, 90.00, 90.00
R / Rfree (%)	18.765 / 23.761

The binding sites of Magnesium atom in the Structural Characterization of 5-Aryl-4-(5-Substituted-2- 4-Dihydroxyphenyl)-1,2,3-Thiadiazole HSP90 Inhibitors. (pdb code 2yi6). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Structural Characterization of 5-Aryl-4-(5-Substituted-2- 4-Dihydroxyphenyl)-1,2,3-Thiadiazole HSP90 Inhibitors., PDB code: 2yi6:

Magnesium binding site 1 out of 1 in the Structural Characterization of 5-Aryl-4-(5-Substituted-2- 4-Dihydroxyphenyl)-1,2,3-Thiadiazole HSP90 Inhibitors.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structural Characterization of 5-Aryl-4-(5-Substituted-2- 4-Dihydroxyphenyl)-1,2,3-Thiadiazole HSP90 Inhibitors. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1226 b:20.0 occ:0.50 O A:HOH2100 2.0 20.8 1.0 O A:HOH2099 2.0 22.1 1.0 O A:HOH2331 2.1 22.3 1.0 O A:HOH2048 4.2 38.3 1.0 O A:HOH2050 4.2 37.9 1.0 O A:HOH2224 4.3 20.9 1.0 OD2 A:ASP54 4.3 13.1 1.0 OD1 A:ASP54 4.5 13.4 1.0 O A:HOH2225 4.7 27.0 1.0 CG A:ASP54 4.8 14.2 1.0

S.Y.Sharp, S.M.Roe, E.Kazlauskas, I.Cikotiene, P.Workman, D.Matulis, C.Prodromou. Co-Crystalization and in Vitro Biological Characterization of 5-Aryl-4-(5-Substituted-2-4-Dihydroxyphenyl)-1,2,3- Thiadiazole HSP90 Inhibitors. Plos One V. 7E44642 2012.
ISSN: ISSN 1932-6203
PubMed: 22984537
DOI: 10.1371/JOURNAL.PONE.0044642