Magnesium in PDB 8w8k: Crystal Structures of HSP90 and the Compound Ganetespid in the "Closed" Conformation

All present enzymatic activity of Crystal Structures of HSP90 and the Compound Ganetespid in the "Closed" Conformation:
3.6.4.10;

The structure of Crystal Structures of HSP90 and the Compound Ganetespid in the "Closed" Conformation, PDB code: 8w8k was solved by C.Xu, X.L.Zhang, F.Bai, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.41 / 2.25
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	64.275, 88.815, 98.71, 90, 90, 90
R / Rfree (%)	17.9 / 22

The binding sites of Magnesium atom in the Crystal Structures of HSP90 and the Compound Ganetespid in the "Closed" Conformation (pdb code 8w8k). 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 Crystal Structures of HSP90 and the Compound Ganetespid in the "Closed" Conformation, PDB code: 8w8k:

Magnesium binding site 1 out of 1 in the Crystal Structures of HSP90 and the Compound Ganetespid in the "Closed" Conformation


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structures of HSP90 and the Compound Ganetespid in the "Closed" Conformation within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:39.0 occ:0.50 O A:HOH448 2.0 33.9 1.0 O A:HOH515 2.0 36.4 1.0 O A:HOH459 2.2 25.6 1.0 OD1 A:ASP54 4.3 33.7 1.0 OD2 A:ASP54 4.4 31.0 1.0 CG A:ASP54 4.8 31.7 1.0

C.Xu, X.Zhang, L.Zhao, G.M.Verkhivker, F.Bai. Accurate Characterization of Binding Kinetics and Allosteric Mechanisms For the HSP90 Chaperone Inhibitors Using Ai-Augmented Integrative Biophysical Studies Jacs Au 2024.
ISSN: ESSN 2691-3704
DOI: 10.1021/JACSAU.4C00123