Magnesium in PDB 4h5w: HSC70 Nbd with Betaine

The structure of HSC70 Nbd with Betaine, PDB code: 4h5w was solved by B.Stec, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.00 / 1.94
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	73.453, 77.918, 75.828, 90.00, 100.68, 90.00
R / Rfree (%)	19.9 / 25.3

The binding sites of Magnesium atom in the HSC70 Nbd with Betaine (pdb code 4h5w). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the HSC70 Nbd with Betaine, PDB code: 4h5w:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the HSC70 Nbd with Betaine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of HSC70 Nbd with Betaine within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:33.3 occ:1.00 O A:HOH636 2.0 26.7 1.0 O A:HOH501 2.1 21.7 1.0 O1 A:PO4402 2.2 26.7 1.0 O A:HOH503 2.3 24.9 1.0 O A:HOH502 2.3 22.8 1.0 O1 A:BET403 2.4 34.8 1.0 P A:PO4402 3.3 26.1 1.0 C A:BET403 3.6 35.7 1.0 O2 A:PO4402 3.6 25.8 1.0 O A:HOH514 3.9 29.1 1.0 OD1 A:ASP199 3.9 24.3 1.0 C1 A:BET403 4.0 36.3 1.0 OD2 A:ASP199 4.0 29.3 1.0 OE1 A:GLU175 4.1 28.1 1.0 O A:HOH581 4.1 23.4 1.0 O3 A:PO4402 4.1 28.7 1.0 OD2 A:ASP10 4.3 25.9 1.0 OD1 A:ASP10 4.3 25.9 1.0 O2 A:BET403 4.3 33.9 1.0 CG A:ASP199 4.4 28.5 1.0 O4 A:PO4402 4.5 27.6 1.0 CA A:BET403 4.6 36.7 1.0 CD A:GLU175 4.7 25.4 1.0 CG1 A:VAL337 4.7 28.4 1.0 CG A:ASP10 4.8 23.4 1.0 N A:BET403 4.9 36.5 1.0

Magnesium binding site 2 out of 2 in the HSC70 Nbd with Betaine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of HSC70 Nbd with Betaine within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg401 b:32.9 occ:1.00 O B:HOH504 2.1 26.7 1.0 O B:HOH502 2.1 24.6 1.0 O B:HOH503 2.1 25.5 1.0 O3 B:PO4404 2.2 23.3 1.0 O1 B:BET405 2.3 29.8 1.0 O B:HOH501 2.4 25.1 1.0 P B:PO4404 3.3 26.6 1.0 O1 B:PO4404 3.5 25.5 1.0 C B:BET405 3.6 31.7 1.0 O B:HOH566 3.9 21.7 1.0 C1 B:BET405 3.9 32.5 1.0 OE1 B:GLU175 4.1 29.2 1.0 OD2 B:ASP199 4.1 26.6 1.0 O4 B:PO4404 4.1 27.8 1.0 OD1 B:ASP199 4.2 24.9 1.0 OD2 B:ASP10 4.2 24.5 1.0 O B:HOH629 4.2 28.4 1.0 OD1 B:ASP10 4.2 27.0 1.0 O2 B:BET405 4.3 29.2 1.0 O2 B:PO4404 4.6 26.9 1.0 CG B:ASP199 4.6 28.4 1.0 CA B:BET405 4.6 31.4 1.0 CG B:ASP10 4.7 23.6 1.0 CD B:GLU175 4.7 27.2 1.0 CG1 B:VAL337 4.8 29.4 1.0 N B:BET405 4.8 33.6 1.0 CA B:GLY12 4.9 23.0 1.0 O B:HOH525 5.0 32.4 1.0

Z.Ziming, J.Cellitti, P.Teriete, M.Pellecchia, B.Stec. New Crystal Structures of Hsc-70 Atp Binding Domain Confirm the Role of Individual Binding Pockets and Suggests A New Method of Inhibition To Be Published.