Magnesium in PDB 7kru: Stimulating State of A Truncated HSP70 Dnak Fused with A Substrate Peptide

The structure of Stimulating State of A Truncated HSP70 Dnak Fused with A Substrate Peptide, PDB code: 7kru 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)	48.86 / 1.82
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	98.516, 98.516, 384.75, 90, 90, 120
R / Rfree (%)	17.8 / 20.8

The binding sites of Magnesium atom in the Stimulating State of A Truncated HSP70 Dnak Fused with A Substrate Peptide (pdb code 7kru). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Stimulating State of A Truncated HSP70 Dnak Fused with A Substrate Peptide, PDB code: 7kru:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Stimulating State of A Truncated HSP70 Dnak Fused with A Substrate Peptide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Stimulating State of A Truncated HSP70 Dnak Fused with A Substrate Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg608 b:26.8 occ:1.00 O1G B:ATP609 2.1 22.5 1.0 O B:HOH942 2.1 24.4 1.0 O B:HOH882 2.1 23.8 1.0 O1B B:ATP609 2.1 21.3 1.0 O B:HOH738 2.1 24.4 1.0 O B:HOH767 2.2 23.0 1.0 PG B:ATP609 3.2 23.9 1.0 PB B:ATP609 3.4 23.7 1.0 O3B B:ATP609 3.6 24.9 1.0 O3G B:ATP609 3.8 29.9 1.0 O B:HOH830 3.9 33.0 1.0 HA3 B:GLY196 4.0 30.8 1.0 OE1 B:GLU171 4.0 29.1 1.0 O B:HOH800 4.0 26.1 1.0 O B:HOH854 4.1 34.4 1.0 HG21 B:VAL371 4.1 33.8 1.0 O2A B:ATP609 4.2 27.2 1.0 O3A B:ATP609 4.2 23.2 1.0 OD2 B:ASP8 4.3 26.8 1.0 OD1 B:ASP194 4.3 27.7 1.0 OD2 B:ASP194 4.3 33.0 1.0 OD1 B:ASP8 4.3 25.6 1.0 CD B:GLU171 4.4 31.4 1.0 HA2 B:GLY10 4.5 32.0 1.0 O2G B:ATP609 4.5 27.3 1.0 O2B B:ATP609 4.6 25.1 1.0 HG12 B:VAL340 4.6 31.0 1.0 HZ3 B:LYS70 4.6 29.0 1.0 OE2 B:GLU171 4.7 29.5 1.0 HA3 B:GLY10 4.7 32.0 1.0 PA B:ATP609 4.7 26.6 1.0 CG B:ASP194 4.8 39.0 1.0 CG B:ASP8 4.8 26.8 1.0 HG2 B:GLU171 4.8 30.7 1.0 HA2 B:GLY341 4.8 28.4 1.0 HA2 B:GLY196 4.8 30.8 1.0 O B:HOH776 4.8 42.3 1.0 CA B:GLY196 4.9 25.6 1.0 HB3 B:GLU171 4.9 28.5 1.0 HG11 B:VAL371 4.9 33.8 1.0 HZ1 B:LYS70 5.0 29.0 1.0

Magnesium binding site 2 out of 2 in the Stimulating State of A Truncated HSP70 Dnak Fused with A Substrate Peptide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Stimulating State of A Truncated HSP70 Dnak Fused with A Substrate Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg606 b:22.9 occ:1.00 O2G A:ATP607 2.0 24.6 1.0 O A:HOH813 2.1 20.9 1.0 O A:HOH889 2.1 26.9 1.0 O1B A:ATP607 2.1 20.5 1.0 O A:HOH865 2.1 22.7 1.0 O A:HOH734 2.2 23.7 1.0 PG A:ATP607 3.2 24.8 1.0 PB A:ATP607 3.3 24.0 1.0 O3B A:ATP607 3.6 24.0 1.0 O1G A:ATP607 3.8 32.2 1.0 O A:HOH918 4.0 37.1 1.0 O A:HOH782 4.0 25.3 1.0 HA3 A:GLY196 4.0 31.7 1.0 O2A A:ATP607 4.1 24.9 1.0 O A:HOH855 4.1 24.7 1.0 OE1 A:GLU171 4.1 28.6 1.0 O3A A:ATP607 4.2 23.4 1.0 HG21 A:VAL371 4.2 28.6 1.0 OD1 A:ASP194 4.2 22.8 1.0 OD2 A:ASP194 4.3 30.9 1.0 OD2 A:ASP8 4.3 25.8 1.0 OD1 A:ASP8 4.4 24.4 1.0 HA2 A:GLY10 4.5 28.3 1.0 O3G A:ATP607 4.5 23.6 1.0 CD A:GLU171 4.5 24.4 1.0 HG12 A:VAL340 4.5 30.1 1.0 O2B A:ATP607 4.5 21.3 1.0 HZ3 A:LYS70 4.6 31.0 1.0 HA3 A:GLY10 4.6 28.3 1.0 CG A:ASP194 4.7 27.0 1.0 HA2 A:GLY341 4.7 26.6 1.0 PA A:ATP607 4.7 24.4 1.0 OE2 A:GLU171 4.8 28.7 1.0 CG A:ASP8 4.8 23.4 1.0 HG2 A:GLU171 4.8 26.4 1.0 O A:HOH732 4.8 41.3 1.0 CA A:GLY196 4.9 26.4 1.0 HA2 A:GLY196 4.9 31.7 1.0 HB3 A:GLU171 4.9 28.3 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