Magnesium in PDB 8sj2: Structure of Ternary Complex of Cgas with Dsdna and Bound Atp and 2'- Dgtp

All present enzymatic activity of Structure of Ternary Complex of Cgas with Dsdna and Bound Atp and 2'- Dgtp:
2.7.7.86;

The structure of Structure of Ternary Complex of Cgas with Dsdna and Bound Atp and 2'- Dgtp, PDB code: 8sj2 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)	29.72 / 2.23
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	78.634, 98.851, 142.778, 90, 90, 90
R / Rfree (%)	19.9 / 23.4

The structure of Structure of Ternary Complex of Cgas with Dsdna and Bound Atp and 2'- Dgtp 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 Atp and 2'- Dgtp (pdb code 8sj2). 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 Atp and 2'- Dgtp, PDB code: 8sj2:
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 Atp and 2'- Dgtp


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 Atp and 2'- Dgtp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg603 b:47.4 occ:1.00 O3G A:ATP601 2.0 43.1 1.0 OE1 A:GLU211 2.0 44.4 1.0 O2A A:ATP601 2.1 46.3 1.0 OD2 A:ASP213 2.2 43.6 1.0 O A:HOH707 2.2 39.8 1.0 O2B A:ATP601 2.3 41.6 1.0 CD A:GLU211 3.0 46.7 1.0 CG A:ASP213 3.2 47.0 1.0 PB A:ATP601 3.3 44.6 1.0 PG A:ATP601 3.3 43.6 1.0 PA A:ATP601 3.3 45.8 1.0 OE2 A:GLU211 3.3 49.7 1.0 O3B A:ATP601 3.4 45.2 1.0 O3A A:ATP601 3.4 47.6 1.0 OD1 A:ASP213 3.5 50.0 1.0 OG A:SER199 4.0 40.5 1.0 O2G A:ATP601 4.1 39.3 1.0 O A:HOH712 4.2 41.0 1.0 CG A:GLU211 4.3 46.8 1.0 C5' A:ATP601 4.3 53.2 1.0 O5' A:ATP601 4.3 52.3 1.0 O A:GLU211 4.3 44.0 1.0 N A:SER199 4.4 41.6 1.0 O1G A:ATP601 4.4 45.9 1.0 O1A A:ATP601 4.4 53.1 1.0 CB A:ASP213 4.5 45.1 1.0 CB A:GLU211 4.6 46.1 1.0 O1B A:ATP601 4.7 47.1 1.0 O3' A:DGT602 4.7 68.7 1.0 C A:GLU211 4.8 44.9 1.0 CB A:SER199 4.8 41.0 1.0 CA A:GLY198 4.9 42.3 1.0

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


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 Atp and 2'- Dgtp within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg603 b:47.2 occ:1.00 O2A C:ATP601 2.0 45.3 1.0 OE1 C:GLU211 2.0 45.8 1.0 O2B C:ATP601 2.1 45.8 1.0 O3G C:ATP601 2.1 44.6 1.0 OD2 C:ASP213 2.2 46.1 1.0 O C:HOH720 2.2 42.6 1.0 CD C:GLU211 3.1 47.7 1.0 PB C:ATP601 3.1 44.0 1.0 CG C:ASP213 3.1 47.9 1.0 PA C:ATP601 3.2 48.5 1.0 O3A C:ATP601 3.3 44.6 1.0 PG C:ATP601 3.3 43.0 1.0 OD1 C:ASP213 3.4 47.7 1.0 O3B C:ATP601 3.4 43.6 1.0 OE2 C:GLU211 3.5 51.0 1.0 OG C:SER199 4.1 41.6 1.0 C5' C:ATP601 4.2 49.0 1.0 O5' C:ATP601 4.2 48.5 1.0 O2G C:ATP601 4.2 41.8 1.0 O C:HOH706 4.3 43.4 1.0 N C:SER199 4.3 43.5 1.0 O1A C:ATP601 4.3 46.3 1.0 CG C:GLU211 4.3 49.0 1.0 O1G C:ATP601 4.4 44.6 1.0 O1B C:ATP601 4.5 45.5 1.0 O C:GLU211 4.5 47.4 1.0 CB C:ASP213 4.5 48.0 1.0 CB C:GLU211 4.6 48.7 1.0 C C:GLU211 4.8 47.7 1.0 CA C:GLY198 4.8 43.9 1.0 CB C:SER199 4.8 43.3 1.0

S.Wu, J.Sohn. Structure of Ternary Complex of Cgas with Dsdna and Bound Atp and 2'-Dgtp To Be Published.