Magnesium in PDB 8gin: Structure of Ternary Complex of Mouse Cgas with Dsdna and Bound Atp: with 10MM MG2+ and 0.015MM MN2+

All present enzymatic activity of Structure of Ternary Complex of Mouse Cgas with Dsdna and Bound Atp: with 10MM MG2+ and 0.015MM MN2+:
2.7.7.86;

The structure of Structure of Ternary Complex of Mouse Cgas with Dsdna and Bound Atp: with 10MM MG2+ and 0.015MM MN2+, PDB code: 8gin was solved by S.Wu, J.Sohn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.78 / 2.75
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	77.392, 98.709, 142.26, 90, 90, 90
R / Rfree (%)	18.1 / 22.5

The structure of Structure of Ternary Complex of Mouse Cgas with Dsdna and Bound Atp: with 10MM MG2+ and 0.015MM MN2+ also contains other interesting chemical elements:

Zinc	(Zn)	2 atoms
Manganese	(Mn)	2 atoms

The binding sites of Magnesium atom in the Structure of Ternary Complex of Mouse Cgas with Dsdna and Bound Atp: with 10MM MG2+ and 0.015MM MN2+ (pdb code 8gin). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure of Ternary Complex of Mouse Cgas with Dsdna and Bound Atp: with 10MM MG2+ and 0.015MM MN2+, PDB code: 8gin:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of Ternary Complex of Mouse Cgas with Dsdna and Bound Atp: with 10MM MG2+ and 0.015MM MN2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Ternary Complex of Mouse Cgas with Dsdna and Bound Atp: with 10MM MG2+ and 0.015MM MN2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg604 b:39.5 occ:1.00 OE1 A:GLU211 2.2 49.1 1.0 O3G A:ATP601 2.3 44.4 1.0 OD2 A:ASP213 2.3 46.3 1.0 O2B A:ATP601 2.4 42.7 1.0 O2A A:ATP601 2.5 45.6 1.0 OG A:SER199 3.1 43.7 1.0 O A:HOH709 3.3 41.6 1.0 CG A:ASP213 3.3 46.2 1.0 PG A:ATP601 3.3 42.3 1.0 CD A:GLU211 3.4 47.3 1.0 O3B A:ATP601 3.4 43.4 1.0 PB A:ATP601 3.4 41.6 1.0 O A:GLU211 3.5 49.3 1.0 OD1 A:ASP213 3.7 49.3 1.0 N A:SER199 3.8 43.9 1.0 O2G A:ATP601 3.8 36.0 1.0 O3A A:ATP601 3.9 47.4 1.0 PA A:ATP601 3.9 41.6 1.0 OE2 A:GLU211 3.9 49.7 1.0 CB A:SER199 4.1 40.9 1.0 C A:GLU211 4.3 47.0 1.0 MN A:MN603 4.4 72.8 1.0 CA A:GLY198 4.5 44.7 1.0 CA A:SER199 4.5 42.6 1.0 CG A:GLU211 4.6 46.4 1.0 C5' A:ATP601 4.6 46.1 1.0 CB A:ASP213 4.6 46.0 1.0 O1G A:ATP601 4.6 51.6 1.0 C A:GLY198 4.6 43.1 1.0 CB A:GLU211 4.6 48.4 1.0 O5' A:ATP601 4.8 40.4 1.0 N A:ASP213 4.8 42.9 1.0 O1B A:ATP601 4.8 52.0 1.0 N A:TYR200 4.9 42.3 1.0 O1A A:ATP601 5.0 46.2 1.0 C A:PHE212 5.0 42.9 1.0

Magnesium binding site 2 out of 2 in the Structure of Ternary Complex of Mouse Cgas with Dsdna and Bound Atp: with 10MM MG2+ and 0.015MM MN2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of Ternary Complex of Mouse Cgas with Dsdna and Bound Atp: with 10MM MG2+ and 0.015MM MN2+ within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg604 b:48.4 occ:1.00 OE1 C:GLU211 2.2 57.7 1.0 OD2 C:ASP213 2.3 52.0 1.0 O2B C:ATP601 2.3 52.3 1.0 O3G C:ATP601 2.5 50.1 1.0 O2A C:ATP601 2.9 50.3 1.0 OG C:SER199 3.0 47.7 1.0 O C:HOH709 3.3 46.8 1.0 CD C:GLU211 3.4 55.9 1.0 O C:GLU211 3.5 52.9 1.0 CG C:ASP213 3.5 53.1 1.0 PB C:ATP601 3.5 49.8 1.0 PG C:ATP601 3.5 45.4 1.0 O3B C:ATP601 3.6 47.5 1.0 N C:SER199 3.7 48.9 1.0 O2G C:ATP601 3.9 46.6 1.0 OE2 C:GLU211 4.0 54.7 1.0 CB C:SER199 4.0 42.8 1.0 O3A C:ATP601 4.0 54.5 1.0 PA C:ATP601 4.2 46.9 1.0 OD1 C:ASP213 4.2 56.7 1.0 C C:GLU211 4.2 52.2 1.0 CA C:SER199 4.4 46.6 1.0 CA C:GLY198 4.6 46.8 1.0 CB C:GLU211 4.6 48.8 1.0 C C:GLY198 4.6 47.2 1.0 CG C:GLU211 4.6 46.9 1.0 N C:TYR200 4.6 45.5 1.0 CB C:ASP213 4.6 51.1 1.0 MN C:MN603 4.7 84.6 1.0 C5' C:ATP601 4.7 51.7 1.0 O1B C:ATP601 4.8 53.0 1.0 N C:PHE212 4.8 54.6 1.0 N C:ASP213 4.9 51.5 1.0 O1G C:ATP601 4.9 55.5 1.0 CA C:PHE212 4.9 50.4 1.0 C C:PHE212 4.9 50.6 1.0 CD C:LYS205 4.9 45.0 1.0 O5' C:ATP601 5.0 45.8 1.0

S.Wu, S.B.Gabelli, J.Sohn. The Structural Basis For 2'-5'/3'-5'-Cgamp Synthesis By Cgas Nat Commun V. 15 4012 2024.
ISSN: ESSN 2041-1723
DOI: 10.1038/S41467-024-48365-3