Magnesium in PDB 8sj0: Structure of Ternary Complex of Cgas with Dsdna and Bound 2'-Datp

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

The structure of Structure of Ternary Complex of Cgas with Dsdna and Bound 2'-Datp, PDB code: 8sj0 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)	29.80 / 2.55
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	77.503, 98.3, 143.205, 90, 90, 90
R / Rfree (%)	19.2 / 23.7

The structure of Structure of Ternary Complex of Cgas with Dsdna and Bound 2'-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 2'-Datp (pdb code 8sj0). 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 2'-Datp, PDB code: 8sj0:
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 2'-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 2'-Datp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg603 b:53.5 occ:1.00 O3G A:DTP601 2.5 60.4 1.0 OE1 A:GLU211 2.6 57.5 1.0 O2B A:DTP601 2.7 54.7 1.0 OG A:SER199 3.0 53.0 1.0 OD2 A:ASP213 3.1 56.4 1.0 O A:GLU211 3.2 51.0 1.0 O A:HOH713 3.2 44.7 1.0 N A:SER199 3.6 45.4 1.0 PG A:DTP601 3.6 60.8 1.0 O2G A:DTP601 3.7 49.5 1.0 CD A:GLU211 3.9 56.6 1.0 N A:TYR200 3.9 47.7 1.0 CB A:SER199 3.9 47.2 1.0 O1A A:DTP601 3.9 65.4 1.0 PB A:DTP601 4.0 61.9 1.0 O3B A:DTP601 4.0 57.0 1.0 CD A:LYS205 4.1 49.1 1.0 C A:GLU211 4.1 50.8 1.0 CA A:SER199 4.1 46.3 1.0 CG A:ASP213 4.2 54.3 1.0 C A:SER199 4.5 46.6 1.0 CB A:GLU211 4.5 52.2 1.0 C A:GLY198 4.5 47.1 1.0 OE2 A:GLU211 4.7 59.2 1.0 CB A:TYR200 4.7 45.0 1.0 CE A:LYS205 4.7 51.0 1.0 CG A:GLU211 4.8 52.6 1.0 OD1 A:ASP213 4.8 53.8 1.0 O3A A:DTP601 4.8 61.0 1.0 CA A:GLY198 4.8 46.8 1.0 N A:PHE212 4.9 50.1 1.0 CA A:TYR200 4.9 46.0 1.0 CA A:PHE212 5.0 49.2 1.0 PA A:DTP601 5.0 63.8 1.0 CA A:GLU211 5.0 52.1 1.0 O1G A:DTP601 5.0 62.5 1.0 N A:ASP213 5.0 46.2 1.0

Magnesium binding site 2 out of 2 in the Structure of Ternary Complex of Cgas with Dsdna and Bound 2'-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 2'-Datp within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg603 b:58.8 occ:1.00 OE1 C:GLU211 2.5 61.7 1.0 O3G C:DTP601 2.7 64.0 1.0 O2B C:DTP601 2.7 60.0 1.0 O C:HOH712 2.9 48.2 1.0 OG C:SER199 3.0 53.9 1.0 OD2 C:ASP213 3.1 60.2 1.0 O C:GLU211 3.2 53.4 1.0 N C:SER199 3.4 48.7 1.0 CD C:GLU211 3.7 61.5 1.0 N C:TYR200 3.7 45.3 1.0 CB C:SER199 3.8 51.0 1.0 O1A C:DTP601 3.8 65.8 1.0 PG C:DTP601 3.9 61.8 1.0 CA C:SER199 4.0 50.2 1.0 C C:GLU211 4.0 54.1 1.0 PB C:DTP601 4.0 64.7 1.0 CD C:LYS205 4.1 49.1 1.0 O2G C:DTP601 4.1 55.4 1.0 O3B C:DTP601 4.1 59.1 1.0 CG C:ASP213 4.3 59.0 1.0 C C:SER199 4.3 48.2 1.0 C C:GLY198 4.4 49.1 1.0 CB C:GLU211 4.4 54.8 1.0 OE2 C:GLU211 4.5 62.5 1.0 CE C:LYS205 4.6 52.2 1.0 CG C:GLU211 4.6 55.1 1.0 CB C:TYR200 4.6 48.8 1.0 N C:PHE212 4.7 55.0 1.0 CA C:GLY198 4.7 49.3 1.0 CA C:TYR200 4.8 48.4 1.0 CA C:PHE212 4.8 53.1 1.0 O3A C:DTP601 4.8 67.3 1.0 CA C:GLU211 4.9 55.0 1.0 PA C:DTP601 4.9 69.2 1.0 N C:ASP213 4.9 51.5 1.0

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