Magnesium in PDB 7krt: Restraining State of A Truncated HSP70 Dnak

The structure of Restraining State of A Truncated HSP70 Dnak, PDB code: 7krt 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)	47.02 / 2.79
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	77.469, 199.529, 94.231, 90, 93.75, 90
R / Rfree (%)	27.9 / 30.8

The binding sites of Magnesium atom in the Restraining State of A Truncated HSP70 Dnak (pdb code 7krt). 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 A Truncated HSP70 Dnak, PDB code: 7krt:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Restraining State of A Truncated 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 A Truncated HSP70 Dnak within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg701 b:36.5 occ:1.00 O3G A:ATP702 1.9 29.9 1.0 O1B A:ATP702 1.9 43.2 1.0 O A:HOH803 2.0 39.6 1.0 O A:HOH807 2.0 39.0 1.0 O A:HOH808 2.0 33.3 1.0 O A:HOH804 2.1 25.1 1.0 PG A:ATP702 3.2 35.8 1.0 PB A:ATP702 3.2 40.9 1.0 O3B A:ATP702 3.6 40.1 1.0 O2A A:ATP702 3.7 35.3 1.0 O A:HOH806 3.7 25.2 1.0 O A:HOH805 3.8 26.9 1.0 OE1 A:GLU171 3.9 64.0 1.0 O1G A:ATP702 4.0 25.1 1.0 O3A A:ATP702 4.0 32.3 1.0 OD2 A:ASP8 4.3 56.3 1.0 O2G A:ATP702 4.3 40.8 1.0 O2B A:ATP702 4.3 39.0 1.0 OD1 A:ASP8 4.4 43.1 1.0 PA A:ATP702 4.4 38.1 1.0 CD A:GLU171 4.4 49.4 1.0 OD1 A:ASP194 4.5 53.9 1.0 CA A:GLY196 4.5 42.5 1.0 OE2 A:GLU171 4.6 35.0 1.0 OD2 A:ASP194 4.6 66.3 1.0 CA A:GLY10 4.6 30.9 1.0 CG A:ASP8 4.8 47.8 1.0 CG A:ASP194 5.0 64.2 1.0

Magnesium binding site 2 out of 4 in the Restraining State of A Truncated 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 A Truncated HSP70 Dnak within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg701 b:65.5 occ:1.00 O3G B:ATP702 1.9 50.5 1.0 O1B B:ATP702 1.9 48.0 1.0 O B:HOH805 2.0 61.5 1.0 O B:HOH801 2.0 57.2 1.0 O B:HOH806 2.0 66.6 1.0 O B:HOH803 2.1 38.8 1.0 PG B:ATP702 3.2 52.2 1.0 PB B:ATP702 3.2 38.8 1.0 O3B B:ATP702 3.6 43.6 1.0 O2A B:ATP702 3.7 58.8 1.0 O B:HOH804 3.8 22.7 1.0 OE1 B:GLU171 3.8 58.8 1.0 O3A B:ATP702 4.0 66.5 1.0 O1G B:ATP702 4.0 43.4 1.0 OD1 B:ASP8 4.1 66.1 1.0 OD2 B:ASP8 4.1 69.9 1.0 O B:HOH808 4.2 48.7 1.0 CD B:GLU171 4.2 63.5 1.0 O2G B:ATP702 4.3 66.5 1.0 PA B:ATP702 4.3 71.5 1.0 OE2 B:GLU171 4.3 72.9 1.0 O2B B:ATP702 4.4 52.0 1.0 CA B:GLY10 4.5 52.5 1.0 OD2 B:ASP194 4.5 85.5 1.0 CG B:ASP8 4.5 71.9 1.0 OD1 B:ASP194 4.6 69.8 1.0 CA B:GLY196 4.9 56.1 1.0 CG2 B:VAL371 4.9 64.2 1.0 CG B:ASP194 5.0 71.2 1.0

Magnesium binding site 3 out of 4 in the Restraining State of A Truncated 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 A Truncated HSP70 Dnak within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg701 b:41.2 occ:1.00 O3G C:ATP702 1.9 43.9 1.0 O1B C:ATP702 2.0 28.8 1.0 O C:HOH806 2.0 55.6 1.0 O C:HOH801 2.0 69.3 1.0 O C:HOH802 2.0 39.7 1.0 O C:HOH803 2.1 59.2 1.0 PG C:ATP702 3.2 35.4 1.0 PB C:ATP702 3.2 28.3 1.0 O3B C:ATP702 3.5 23.5 1.0 O2A C:ATP702 3.6 34.8 1.0 O C:HOH805 3.7 15.3 1.0 OE1 C:GLU171 3.7 73.0 1.0 O1G C:ATP702 3.9 35.9 1.0 OD2 C:ASP8 3.9 56.6 1.0 O C:HOH807 4.0 30.4 1.0 O3A C:ATP702 4.1 41.6 1.0 OD1 C:ASP8 4.1 59.0 1.0 CD C:GLU171 4.2 54.7 1.0 O2G C:ATP702 4.3 48.1 1.0 O2B C:ATP702 4.3 38.8 1.0 OD2 C:ASP194 4.3 75.5 1.0 OE2 C:GLU171 4.4 42.7 1.0 PA C:ATP702 4.4 34.4 1.0 CG C:ASP8 4.5 48.5 1.0 OD1 C:ASP194 4.5 71.3 1.0 CG2 C:VAL371 4.8 38.2 1.0 CA C:GLY10 4.9 24.9 1.0 CA C:GLY196 4.9 32.0 1.0 CG C:ASP194 4.9 74.7 1.0

Magnesium binding site 4 out of 4 in the Restraining State of A Truncated 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 A Truncated HSP70 Dnak within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg701 b:50.9 occ:1.00 O3G D:ATP702 1.9 65.3 1.0 O1B D:ATP702 1.9 45.5 1.0 O D:HOH804 2.0 50.1 1.0 O D:HOH801 2.0 62.9 1.0 O D:HOH802 2.0 55.2 1.0 O D:HOH803 2.0 59.3 1.0 PG D:ATP702 3.2 51.3 1.0 PB D:ATP702 3.2 43.6 1.0 O3B D:ATP702 3.6 55.4 1.0 O D:HOH806 3.6 38.9 1.0 O2A D:ATP702 3.7 54.0 1.0 OE1 D:GLU171 3.8 74.6 1.0 O1G D:ATP702 4.0 43.6 1.0 OD2 D:ASP8 4.0 70.2 1.0 O3A D:ATP702 4.0 53.5 1.0 OD1 D:ASP8 4.0 62.8 1.0 O2G D:ATP702 4.3 55.7 1.0 CD D:GLU171 4.3 71.1 1.0 O2B D:ATP702 4.3 56.7 1.0 PA D:ATP702 4.4 55.1 1.0 O D:HOH805 4.4 35.1 1.0 OD2 D:ASP194 4.4 53.8 1.0 CG D:ASP8 4.5 63.7 1.0 OD1 D:ASP194 4.5 69.6 1.0 OE2 D:GLU171 4.6 45.6 1.0 CA D:GLY10 4.7 57.4 1.0 CA D:GLY196 4.8 60.9 1.0 CG D:ASP194 4.9 63.5 1.0 NZ D:LYS70 4.9 44.7 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