Magnesium in PDB 7q4r: Crystal Structure of Human HSP72-Nbd in Complex with Fragment 1

The structure of Crystal Structure of Human HSP72-Nbd in Complex with Fragment 1, PDB code: 7q4r was solved by Y.V.Le Bihan, I.M.Westwood, R.L.M.Van Montfort, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.75 / 1.79
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	47.465, 78.473, 93.498, 90, 90, 90
R / Rfree (%)	19.2 / 23.5

The binding sites of Magnesium atom in the Crystal Structure of Human HSP72-Nbd in Complex with Fragment 1 (pdb code 7q4r). 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 Human HSP72-Nbd in Complex with Fragment 1, PDB code: 7q4r:

Magnesium binding site 1 out of 1 in the Crystal Structure of Human HSP72-Nbd in Complex with Fragment 1


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 Human HSP72-Nbd in Complex with Fragment 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:10.8 occ:0.79 O2 A:PO4403 1.9 21.1 0.9 O A:HOH651 1.9 17.7 1.0 O A:HOH610 2.0 17.0 1.0 O A:HOH584 2.0 17.6 1.0 O A:HOH577 2.0 15.8 1.0 O A:HOH678 2.1 17.6 1.0 P A:PO4403 3.1 22.3 0.9 O3 A:PO4403 3.4 22.7 0.9 O4 A:PO4403 3.6 21.1 0.9 O A:HOH854 3.9 36.9 1.0 O A:HOH588 4.0 18.4 1.0 OD2 A:ASP199 4.2 23.6 1.0 OE1 A:GLU175 4.2 20.5 1.0 OD2 A:ASP10 4.3 17.4 1.0 OD1 A:ASP199 4.3 24.7 1.0 O1 A:PO4403 4.4 20.9 0.9 OD1 A:ASP10 4.4 19.2 1.0 CG A:ASP199 4.7 23.2 1.0 CD A:GLU175 4.7 20.0 1.0 CG A:ASP10 4.8 17.3 1.0 CA A:GLY202 4.9 29.3 1.0 CG1 A:VAL337 4.9 18.1 1.0 O A:HOH683 4.9 19.9 1.0 O A:HOH503 4.9 22.3 1.0 CG2 A:VAL369 4.9 15.9 1.0

S.O'connor, Y.V.Le Bihan, I.M.Westwood, M.Liu, O.W.Mak, G.Zazeri, A.P.R.Povinelli, A.M.Jones, R.Van Montfort, J.Reynisson, I.Collins. Discovery and Characterization of A Cryptic Secondary Binding Site in the Molecular Chaperone HSP70. Molecules V. 27 2022.
ISSN: ESSN 1420-3049
PubMed: 35164081
DOI: 10.3390/MOLECULES27030817