Magnesium in PDB 7ko2: Restraining State of Near Full-Length HSP70 Dnak

The structure of Restraining State of Near Full-Length HSP70 Dnak, PDB code: 7ko2 was solved by W.Wang, W.A.Hendrickson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.54 / 2.64
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	202.431, 77.49, 182.741, 90, 101.79, 90
R / Rfree (%)	24.1 / 28.7

The binding sites of Magnesium atom in the Restraining State of Near Full-Length HSP70 Dnak (pdb code 7ko2). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Restraining State of Near Full-Length HSP70 Dnak, PDB code: 7ko2:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Restraining State of Near Full-Length HSP70 Dnak


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Restraining State of Near Full-Length HSP70 Dnak within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg701 b:56.4 occ:1.00 O3G A:ATP702 1.9 44.5 1.0 O1B A:ATP702 1.9 39.5 1.0 O A:HOH827 2.0 47.7 1.0 O A:HOH828 2.0 43.6 1.0 O A:HOH829 2.0 59.9 1.0 O A:HOH844 2.1 66.2 1.0 PG A:ATP702 3.2 46.0 1.0 PB A:ATP702 3.2 35.6 1.0 O A:HOH830 3.6 31.0 1.0 O3B A:ATP702 3.6 44.2 1.0 O2A A:ATP702 3.7 30.2 1.0 O A:HOH849 3.8 50.8 1.0 O1G A:ATP702 4.0 49.3 1.0 O3A A:ATP702 4.0 51.5 1.0 OD2 A:ASP8 4.1 47.4 1.0 OD1 A:ASP8 4.2 33.0 1.0 O A:HOH834 4.2 19.0 1.0 O2G A:ATP702 4.3 31.6 1.0 OD1 A:ASP194 4.3 45.8 1.0 O2B A:ATP702 4.3 42.9 1.0 PA A:ATP702 4.4 42.2 1.0 OE1 A:GLU171 4.4 57.6 1.0 OE2 A:GLU171 4.5 51.6 1.0 CD A:GLU171 4.5 53.6 1.0 CG A:ASP8 4.6 50.6 1.0 OD2 A:ASP194 4.7 67.5 1.0 CA A:GLY10 4.7 41.8 1.0 CA A:GLY196 4.7 45.6 1.0 CG A:ASP194 4.9 54.7 1.0

Magnesium binding site 2 out of 4 in the Restraining State of Near Full-Length HSP70 Dnak


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Restraining State of Near Full-Length HSP70 Dnak within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg701 b:35.5 occ:1.00 O3G B:ATP702 1.9 34.8 1.0 O1B B:ATP702 1.9 27.6 1.0 O B:HOH815 2.0 44.1 1.0 O B:HOH830 2.0 30.7 1.0 O B:HOH821 2.0 48.5 1.0 O B:HOH823 2.1 48.1 1.0 PG B:ATP702 3.2 39.1 1.0 PB B:ATP702 3.2 31.7 1.0 O B:HOH812 3.5 39.7 1.0 O3B B:ATP702 3.6 48.2 1.0 O2A B:ATP702 3.7 36.5 1.0 O3A B:ATP702 4.0 42.3 1.0 O B:HOH828 4.0 32.8 1.0 O1G B:ATP702 4.0 43.0 1.0 OE2 B:GLU171 4.1 51.1 1.0 OD1 B:ASP8 4.1 59.7 1.0 OD1 B:ASP194 4.2 47.6 1.0 OD2 B:ASP8 4.2 52.1 1.0 OE1 B:GLU171 4.3 60.8 1.0 O2G B:ATP702 4.3 43.2 1.0 CD B:GLU171 4.3 49.0 1.0 PA B:ATP702 4.3 51.9 1.0 O2B B:ATP702 4.4 47.2 1.0 OD2 B:ASP194 4.6 67.1 1.0 CG B:ASP8 4.6 51.9 1.0 CA B:GLY10 4.6 40.4 1.0 CA B:GLY196 4.7 37.1 1.0 CG B:ASP194 4.8 58.6 1.0

Magnesium binding site 3 out of 4 in the Restraining State of Near Full-Length HSP70 Dnak


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Restraining State of Near Full-Length HSP70 Dnak within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg701 b:47.6 occ:1.00 O3G C:ATP702 1.9 35.5 1.0 O1B C:ATP702 2.0 34.3 1.0 O C:HOH824 2.0 35.9 1.0 O C:HOH844 2.0 40.8 1.0 O C:HOH814 2.0 51.1 1.0 O C:HOH822 2.1 40.6 1.0 PG C:ATP702 3.2 38.4 1.0 PB C:ATP702 3.2 37.0 1.0 O3B C:ATP702 3.5 49.5 1.0 O2A C:ATP702 3.6 50.2 1.0 O1G C:ATP702 3.9 41.4 1.0 O C:HOH836 3.9 37.4 1.0 O C:HOH818 3.9 26.3 1.0 OD1 C:ASP8 4.1 58.0 1.0 O3A C:ATP702 4.1 61.0 1.0 OD2 C:ASP8 4.2 51.7 1.0 OE2 C:GLU171 4.2 50.7 1.0 OD1 C:ASP194 4.2 46.5 1.0 O2G C:ATP702 4.3 44.1 1.0 O2B C:ATP702 4.3 36.2 1.0 OE1 C:GLU171 4.3 56.7 1.0 CD C:GLU171 4.3 58.2 1.0 PA C:ATP702 4.4 47.0 1.0 OD2 C:ASP194 4.6 62.8 1.0 CG C:ASP8 4.6 54.9 1.0 CA C:GLY10 4.6 41.3 1.0 CA C:GLY196 4.7 41.1 1.0 CG C:ASP194 4.8 56.6 1.0 NZ C:LYS70 4.9 37.2 1.0

Magnesium binding site 4 out of 4 in the Restraining State of Near Full-Length HSP70 Dnak


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Restraining State of Near Full-Length HSP70 Dnak within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg701 b:66.0 occ:1.00 O3G D:ATP702 1.9 56.0 1.0 O1B D:ATP702 1.9 26.6 1.0 O D:HOH811 2.0 57.5 1.0 O D:HOH823 2.0 42.7 1.0 O D:HOH838 2.0 59.5 1.0 O D:HOH812 2.0 47.5 1.0 PG D:ATP702 3.2 55.4 1.0 PB D:ATP702 3.2 49.4 1.0 O3B D:ATP702 3.6 56.9 1.0 O2A D:ATP702 3.7 40.9 1.0 O1G D:ATP702 4.0 28.6 1.0 O3A D:ATP702 4.0 58.0 1.0 O D:HOH826 4.2 46.0 1.0 OD1 D:ASP8 4.2 48.7 1.0 O D:HOH814 4.2 35.0 1.0 OD2 D:ASP8 4.3 63.8 1.0 O2G D:ATP702 4.3 46.2 1.0 O2B D:ATP702 4.3 39.9 1.0 OD1 D:ASP194 4.4 67.2 1.0 PA D:ATP702 4.4 51.0 1.0 OE2 D:GLU171 4.5 46.4 1.0 OE1 D:GLU171 4.5 70.4 1.0 CA D:GLY10 4.5 35.5 1.0 CD D:GLU171 4.5 45.4 1.0 CA D:GLY196 4.7 40.5 1.0 CG D:ASP8 4.7 66.6 1.0 OD2 D:ASP194 4.8 58.8 1.0 NZ D:LYS70 5.0 33.2 1.0 CG D:ASP194 5.0 62.0 1.0

W.Wang, Q.Liu, Q.Liu, W.A.Hendrickson. Conformational Equilibria in Allosteric Control of HSP70 Chaperones. Mol.Cell 2021.
ISSN: ISSN 1097-2765
PubMed: 34453889
DOI: 10.1016/J.MOLCEL.2021.07.039