Magnesium in PDB 4egh: HSP90-Alpha Atpase Domain in Complex with (4-Hydroxyphenyl)Morpholin- 4-Yl Methanone

The structure of HSP90-Alpha Atpase Domain in Complex with (4-Hydroxyphenyl)Morpholin- 4-Yl Methanone, PDB code: 4egh was solved by W.J.Chen, S.P.Wood, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	55.03 / 1.60
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	65.870, 89.660, 100.120, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / 22.6

The binding sites of Magnesium atom in the HSP90-Alpha Atpase Domain in Complex with (4-Hydroxyphenyl)Morpholin- 4-Yl Methanone (pdb code 4egh). 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 HSP90-Alpha Atpase Domain in Complex with (4-Hydroxyphenyl)Morpholin- 4-Yl Methanone, PDB code: 4egh:

Magnesium binding site 1 out of 1 in the HSP90-Alpha Atpase Domain in Complex with (4-Hydroxyphenyl)Morpholin- 4-Yl Methanone


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of HSP90-Alpha Atpase Domain in Complex with (4-Hydroxyphenyl)Morpholin- 4-Yl Methanone within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:39.0 occ:0.50 O A:HOH551 2.2 32.0 1.0 O A:HOH552 2.2 31.5 1.0 O A:HOH553 2.3 17.1 0.5 OD2 A:ASP54 4.3 16.4 0.8 O A:HOH459 4.3 28.6 1.0 OD1 A:ASP54 4.5 16.7 0.8 CG A:ASP54 4.7 14.8 0.8 O A:HOH583 4.9 30.3 1.0

C.Austin, S.N.Pettit, S.K.Magnolo, J.Sanvoisin, W.Chen, S.P.Wood, L.D.Freeman, R.J.Pengelly, D.E.Hughes. Fragment Screening Using Capillary Electrophoresis (Cefrag) For Hit Identification of Heat Shock Protein 90 Atpase Inhibitors. J Biomol Screen V. 17 868 2012.
ISSN: ISSN 1087-0571
PubMed: 22573733
DOI: 10.1177/1087057112445785