Magnesium in PDB 8eae: Structure of Ternary Complex of Cgas with Dsdna and Bound 5-Pppg(2,5) Pi

All present enzymatic activity of Structure of Ternary Complex of Cgas with Dsdna and Bound 5-Pppg(2,5) Pi:
2.7.7.86;

The structure of Structure of Ternary Complex of Cgas with Dsdna and Bound 5-Pppg(2,5) Pi, PDB code: 8eae 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)	28.86 / 2.56
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	77.428, 99.322, 141.723, 90, 90, 90
R / Rfree (%)	19.5 / 23.3

The structure of Structure of Ternary Complex of Cgas with Dsdna and Bound 5-Pppg(2,5) Pi 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 5-Pppg(2,5) Pi (pdb code 8eae). 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 5-Pppg(2,5) Pi, PDB code: 8eae:
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 5-Pppg(2,5) Pi


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 5-Pppg(2,5) Pi within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg603 b:42.1 occ:1.00 O10 A:VLO601 1.9 57.9 1.0 O7 A:VLO601 2.1 49.8 1.0 OE1 A:GLU211 2.1 58.1 1.0 O A:HOH701 2.2 31.6 1.0 O3 A:VLO601 2.3 45.3 1.0 OD2 A:ASP213 2.3 50.7 1.0 P3 A:VLO601 3.1 51.3 1.0 P2 A:VLO601 3.1 50.8 1.0 CD A:GLU211 3.2 56.1 1.0 O8 A:VLO601 3.3 54.9 1.0 CG A:ASP213 3.3 47.2 1.0 P1 A:VLO601 3.3 49.8 1.0 O5 A:VLO601 3.4 55.4 1.0 OG A:SER199 3.4 47.8 1.0 OD1 A:ASP213 3.6 47.9 1.0 OE2 A:GLU211 3.7 59.2 1.0 O9 A:VLO601 3.8 45.4 1.0 N A:SER199 4.0 35.2 1.0 O A:HOH718 4.1 31.2 1.0 O11 A:VLO601 4.2 60.2 1.0 O4 A:VLO601 4.3 46.2 1.0 CB A:SER199 4.4 36.8 1.0 O A:GLU211 4.4 43.0 1.0 CG A:GLU211 4.4 55.1 1.0 O6 A:VLO601 4.5 60.7 1.0 O2 A:VLO601 4.5 60.7 1.0 CB A:GLU211 4.7 51.4 1.0 CB A:ASP213 4.7 45.8 1.0 C A:GLU211 4.8 43.9 1.0 CA A:GLY198 4.8 36.8 1.0 CA A:SER199 4.8 36.5 1.0 C A:GLY198 4.9 36.1 1.0

Magnesium binding site 2 out of 2 in the Structure of Ternary Complex of Cgas with Dsdna and Bound 5-Pppg(2,5) Pi


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 5-Pppg(2,5) Pi within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg603 b:30.0 occ:1.00 O3 C:VLO601 1.8 65.1 1.0 O10 C:VLO601 1.9 70.9 1.0 OE1 C:GLU211 2.0 81.6 1.0 O7 C:VLO601 2.3 64.7 1.0 OD2 C:ASP213 2.4 56.2 1.0 CD C:GLU211 2.8 76.5 1.0 P1 C:VLO601 3.0 66.8 1.0 OE2 C:GLU211 3.1 83.1 1.0 P2 C:VLO601 3.2 59.9 1.0 O5 C:VLO601 3.2 66.6 1.0 CG C:ASP213 3.2 53.1 1.0 P3 C:VLO601 3.2 55.7 1.0 OD1 C:ASP213 3.3 58.6 1.0 O8 C:VLO601 3.5 61.5 1.0 O4 C:VLO601 4.0 54.2 1.0 O C:HOH702 4.0 30.0 1.0 CG C:GLU211 4.1 67.2 1.0 O2 C:VLO601 4.1 80.1 1.0 O9 C:VLO601 4.2 47.5 1.0 O11 C:VLO601 4.2 53.0 1.0 OG C:SER199 4.3 48.6 1.0 O6 C:VLO601 4.6 59.4 1.0 CB C:GLU211 4.6 57.9 1.0 CB C:ASP213 4.7 48.4 1.0 O C:HOH704 4.8 47.4 1.0 N C:SER199 4.8 42.5 1.0 O C:GLU211 4.8 47.5 1.0 O19 C:VLO601 4.9 73.7 1.0 O20 C:VLO601 5.0 76.3 1.0

S.Wu, J.Sohn. Structure of Ternary Complex of Cgas with Dsdna and Bound 5-Pppg(2,5)Pi To Be Published.