Magnesium in PDB 8sj1: Structure of Ternary Complex of Cgas with Dsdna and Bound 3'-Datp

All present enzymatic activity of Structure of Ternary Complex of Cgas with Dsdna and Bound 3'-Datp:
2.7.7.86;

The structure of Structure of Ternary Complex of Cgas with Dsdna and Bound 3'-Datp, PDB code: 8sj1 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)	28.74 / 2.81
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	77.184, 97.58, 142.283, 90, 90, 90
R / Rfree (%)	18.8 / 24

The structure of Structure of Ternary Complex of Cgas with Dsdna and Bound 3'-Datp also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Magnesium atom in the Structure of Ternary Complex of Cgas with Dsdna and Bound 3'-Datp (pdb code 8sj1). 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 Cgas with Dsdna and Bound 3'-Datp, PDB code: 8sj1:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of Ternary Complex of Cgas with Dsdna and Bound 3'-Datp


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 Cgas with Dsdna and Bound 3'-Datp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg603 b:43.9 occ:1.00 OE1 A:GLU211 2.1 53.3 1.0 O2B A:3AT601 2.2 57.1 1.0 O2G A:3AT601 2.2 48.6 1.0 OD2 A:ASP213 2.3 47.7 1.0 OG A:SER199 3.2 42.0 1.0 O A:HOH705 3.3 37.7 1.0 CD A:GLU211 3.3 51.0 1.0 PB A:3AT601 3.5 64.5 1.0 CG A:ASP213 3.5 48.4 1.0 PG A:3AT601 3.5 56.5 1.0 O A:GLU211 3.6 40.6 1.0 O2A A:3AT601 3.7 76.3 1.0 N A:SER199 3.7 38.5 1.0 O3B A:3AT601 3.7 58.3 1.0 OE2 A:GLU211 3.9 51.9 1.0 OD1 A:ASP213 4.1 49.6 1.0 C A:GLU211 4.2 40.4 1.0 O1G A:3AT601 4.3 51.8 1.0 N A:TYR200 4.3 34.8 1.0 O3A A:3AT601 4.4 64.1 1.0 CA A:GLY198 4.4 39.4 1.0 CG A:GLU211 4.4 45.0 1.0 CB A:SER199 4.4 38.6 1.0 C A:GLY198 4.5 37.5 1.0 CB A:GLU211 4.5 43.6 1.0 CA A:SER199 4.5 39.1 1.0 N A:ASP213 4.6 36.8 1.0 O3G A:3AT601 4.6 60.2 1.0 CB A:ASP213 4.6 43.4 1.0 O1B A:3AT601 4.7 58.4 1.0 N A:PHE212 4.7 43.4 1.0 PA A:3AT601 4.7 68.0 1.0 C A:PHE212 4.7 39.7 1.0 CA A:PHE212 4.7 41.2 1.0 CD A:LYS205 4.9 37.2 1.0 C A:SER199 4.9 37.3 1.0 CA A:GLU211 5.0 39.9 1.0

Magnesium binding site 2 out of 2 in the Structure of Ternary Complex of Cgas with Dsdna and Bound 3'-Datp


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 Cgas with Dsdna and Bound 3'-Datp within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg603 b:52.4 occ:1.00 OE1 C:GLU211 2.1 70.2 1.0 O1B C:3AT601 2.4 68.0 1.0 O1G C:3AT601 2.6 74.3 1.0 OD2 C:ASP213 2.6 59.9 1.0 OG C:SER199 3.0 49.5 1.0 CD C:GLU211 3.3 68.9 1.0 O C:HOH707 3.5 42.6 1.0 O2A C:3AT601 3.5 72.9 1.0 N C:SER199 3.6 41.5 1.0 O C:GLU211 3.6 51.0 1.0 PB C:3AT601 3.6 71.1 1.0 PG C:3AT601 3.7 66.7 1.0 CG C:ASP213 3.8 55.8 1.0 O3B C:3AT601 3.9 63.3 1.0 OE2 C:GLU211 4.0 68.4 1.0 C C:GLU211 4.2 53.5 1.0 CB C:SER199 4.2 41.1 1.0 O3G C:3AT601 4.3 70.8 1.0 N C:TYR200 4.3 34.4 1.0 CA C:SER199 4.4 38.5 1.0 CB C:GLU211 4.4 54.7 1.0 CA C:GLY198 4.4 43.8 1.0 O3A C:3AT601 4.4 75.5 1.0 C C:GLY198 4.4 39.3 1.0 CG C:GLU211 4.5 56.0 1.0 OD1 C:ASP213 4.6 56.3 1.0 PA C:3AT601 4.6 72.9 1.0 CD C:LYS205 4.7 41.0 1.0 CB C:ASP213 4.7 46.4 1.0 N C:PHE212 4.7 50.5 1.0 C C:PHE212 4.8 46.2 1.0 CA C:PHE212 4.8 45.8 1.0 N C:ASP213 4.8 43.1 1.0 C C:SER199 4.8 37.1 1.0 O2B C:3AT601 4.9 60.3 1.0 CA C:GLU211 4.9 51.1 1.0 O2G C:3AT601 5.0 74.8 1.0

S.Wu, J.Sohn. Structure of Ternary Complex of Cgas with Dsdna and Bound 3'-Datp To Be Published.