Magnesium in PDB 7gya: Crystal Structure of HSP72 in Complex with Ligand 10 at 7.98 Mgy X-Ray Dose.

The structure of Crystal Structure of HSP72 in Complex with Ligand 10 at 7.98 Mgy X-Ray Dose., PDB code: 7gya was solved by M.Cabry, M.J.Rodrigues, Y.V.Le Bihan, R.L.M.Van Montfort, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.08 / 1.92
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	47.9, 89.6, 97, 90, 90, 90
R / Rfree (%)	16.8 / 21.6

The structure of Crystal Structure of HSP72 in Complex with Ligand 10 at 7.98 Mgy X-Ray Dose. also contains other interesting chemical elements:

Bromine

(Br)

1 atom

The binding sites of Magnesium atom in the Crystal Structure of HSP72 in Complex with Ligand 10 at 7.98 Mgy X-Ray Dose. (pdb code 7gya). 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 Structure of HSP72 in Complex with Ligand 10 at 7.98 Mgy X-Ray Dose., PDB code: 7gya:

Magnesium binding site 1 out of 1 in the Crystal Structure of HSP72 in Complex with Ligand 10 at 7.98 Mgy X-Ray Dose.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of HSP72 in Complex with Ligand 10 at 7.98 Mgy X-Ray Dose. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg404 b:44.9 occ:1.00 O A:HOH561 2.1 35.3 1.0 O A:HOH505 2.1 29.2 1.0 O2 A:PO4401 2.1 36.8 0.7 O A:HOH816 2.2 46.7 1.0 O A:HOH529 2.3 38.7 1.0 O A:HOH564 2.3 30.8 1.0 O A:HOH521 3.4 71.3 1.0 P A:PO4401 3.5 39.4 0.7 O A:HOH922 3.5 42.9 1.0 O1 A:PO4401 3.8 40.0 0.7 OD2 A:ASP199 4.0 55.4 1.0 O A:HOH531 4.1 40.3 1.0 OD2 A:ASP10 4.2 30.7 1.0 OE1 A:GLU175 4.2 35.8 1.0 OD1 A:ASP199 4.3 49.1 1.0 O3 A:PO4401 4.3 38.2 0.7 OD1 A:ASP10 4.3 27.6 1.0 CG A:ASP199 4.6 47.1 1.0 CD A:GLU175 4.7 38.0 1.0 O4 A:PO4401 4.7 41.8 0.7 CG A:ASP10 4.7 27.6 1.0 CG1 A:VAL337 4.7 23.6 1.0 O A:HOH603 4.7 37.9 0.5 O A:HOH571 4.8 26.7 1.0 O A:HOH869 4.8 15.8 0.3 O A:HOH869 4.9 34.3 0.7 O A:HOH733 5.0 20.0 1.0

M.J.Rodrigues, M.Cabry, G.Collie, M.Carter, C.Mcandrew, R.L.Owen, B.R.Bellenie, Y.-V.Le Bihan, R.L.M.Van Montfort. Specific Radiation Damage to Halogenated Inhibitors and Ligands in Protein-Ligand Crystal Structures J.Appl.Crystallogr. V. 57 1951 2024.
ISSN: ESSN 1600-5767
DOI: 10.1107/S1600576724010549