Magnesium in PDB 8gun: Crystal Structure of Mutant H528A of Esad From Staphylococcus Aureus

The structure of Crystal Structure of Mutant H528A of Esad From Staphylococcus Aureus, PDB code: 8gun was solved by Z.M.Zhang, Y.J.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	87.07 / 2.30
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	106.548, 106.548, 151.062, 90, 90, 90
R / Rfree (%)	18.1 / 23.3

The binding sites of Magnesium atom in the Crystal Structure of Mutant H528A of Esad From Staphylococcus Aureus (pdb code 8gun). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Mutant H528A of Esad From Staphylococcus Aureus, PDB code: 8gun:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Mutant H528A of Esad From Staphylococcus Aureus


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 Mutant H528A of Esad From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg701 b:40.3 occ:1.00 OD1 A:ASN551 2.0 36.6 1.0 O A:HOH810 2.1 32.6 1.0 O A:HOH827 2.1 36.2 1.0 O A:HOH814 2.2 34.5 1.0 O A:HOH807 2.3 44.1 1.0 O A:HOH831 2.5 38.8 1.0 CG A:ASN551 3.2 38.5 1.0 ND2 A:ASN551 3.9 35.4 1.0 O A:ASN551 3.9 35.1 1.0 OE2 A:GLU564 4.0 42.3 1.0 OE1 A:GLU564 4.0 47.8 1.0 N A:ALA528 4.2 38.1 1.0 OE1 A:GLN546 4.3 40.1 1.0 CB A:ASN551 4.4 29.9 1.0 O A:ALA528 4.4 39.5 1.0 CD A:GLU564 4.4 45.3 1.0 CD1 A:TRP560 4.5 40.4 1.0 CA A:ASN551 4.6 37.7 1.0 C A:ASN551 4.6 36.3 1.0 CA A:GLY527 4.7 37.7 1.0 CB A:ALA528 4.9 34.6 1.0 C A:GLY527 4.9 38.8 1.0 CA A:ALA528 5.0 35.2 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Mutant H528A of Esad From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Mutant H528A of Esad From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg701 b:43.4 occ:1.00 O B:HOH804 2.1 36.7 1.0 OD1 B:ASN551 2.1 39.0 1.0 O B:HOH824 2.1 43.2 1.0 O B:HOH811 2.2 34.0 1.0 O B:HOH808 2.2 40.2 1.0 O B:HOH830 2.3 44.9 1.0 CG B:ASN551 3.3 38.6 1.0 ND2 B:ASN551 3.8 41.6 1.0 N B:ALA528 4.0 44.3 1.0 O B:ALA528 4.2 46.4 1.0 OE1 B:GLU564 4.3 52.6 1.0 O B:ASN551 4.3 41.7 1.0 OE2 B:GLU564 4.4 53.0 1.0 OE1 B:GLN546 4.4 48.6 1.0 CB B:ASN551 4.5 38.5 1.0 CD1 B:TRP560 4.6 39.1 1.0 CA B:GLY527 4.6 45.2 1.0 CB B:ALA528 4.6 46.0 1.0 CA B:ALA528 4.7 48.2 1.0 CD B:GLU564 4.7 53.4 1.0 C B:GLY527 4.8 43.9 1.0 CA B:ASN551 4.8 38.0 1.0 C B:ASN551 4.9 44.1 1.0 C B:ALA528 4.9 45.0 1.0

Y.Wang, Y.Zhou, C.Shi, J.Liu, G.Lv, H.Huang, S.Li, L.Duan, X.Zheng, Y.Liu, H.Zhou, Y.Wang, Z.Li, K.Ding, P.Sun, Y.Huang, X.Lu, Z.M.Zhang. A Toxin-Deformation Dependent Inhibition Mechanism in the T7SS Toxin-Antitoxin System of Gram-Positive Bacteria. Nat Commun V. 13 6434 2022.
ISSN: ESSN 2041-1723
PubMed: 36307446
DOI: 10.1038/S41467-022-34034-W