Magnesium in PDB 3b24: HSP90 Alpha N-Terminal Domain in Complex with An Aminotriazine Fragment Molecule

The structure of HSP90 Alpha N-Terminal Domain in Complex with An Aminotriazine Fragment Molecule, PDB code: 3b24 was solved by T.A.Fukami, N.Ono, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.89 / 1.70
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	64.193, 88.510, 98.523, 90.00, 90.00, 90.00
R / Rfree (%)	16.1 / 18.8

The binding sites of Magnesium atom in the HSP90 Alpha N-Terminal Domain in Complex with An Aminotriazine Fragment Molecule (pdb code 3b24). 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 N-Terminal Domain in Complex with An Aminotriazine Fragment Molecule, PDB code: 3b24:

Magnesium binding site 1 out of 1 in the HSP90 Alpha N-Terminal Domain in Complex with An Aminotriazine Fragment Molecule


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of HSP90 Alpha N-Terminal Domain in Complex with An Aminotriazine Fragment Molecule within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1 b:22.0 occ:0.50 O A:HOH428 2.0 32.1 1.0 O A:HOH457 2.0 22.6 1.0 O A:HOH362 2.2 28.5 1.0 OD1 A:ASP54 4.1 15.1 1.0 O A:HOH800 4.2 50.8 1.0 O A:HOH336 4.3 18.3 1.0 OD2 A:ASP54 4.3 15.7 1.0 O A:HOH725 4.3 47.5 1.0 O A:HOH661 4.5 45.5 1.0 O A:HOH526 4.6 38.9 1.0 CG A:ASP54 4.6 14.6 1.0 OG A:SER50 4.9 9.4 0.5

T.Miura, T.A.Fukami, K.Hasegawa, N.Ono, A.Suda, H.Shindo, D.O.Yoon, S.J.Kim, Y.J.Na, Y.Aoki, N.Shimma, T.Tsukuda, Y.Shiratori. Lead Generation of Heat Shock Protein 90 Inhibitors By A Combination of Fragment-Based Approach, Virtual Screening, and Structure-Based Drug Design Bioorg.Med.Chem.Lett. V. 21 5778 2011.
ISSN: ISSN 0960-894X
PubMed: 21875802
DOI: 10.1016/J.BMCL.2011.08.001