Magnesium in PDB 8ecc: Structure of Ternary Complex of Cgas with Dsdna and Bound 5-Pppi(2,5) Pa

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

The structure of Structure of Ternary Complex of Cgas with Dsdna and Bound 5-Pppi(2,5) Pa, PDB code: 8ecc 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)	80.90 / 2.44
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	77.045, 98.534, 141.706, 90, 90, 90
R / Rfree (%)	22.2 / 25.9

The structure of Structure of Ternary Complex of Cgas with Dsdna and Bound 5-Pppi(2,5) Pa 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-Pppi(2,5) Pa (pdb code 8ecc). 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-Pppi(2,5) Pa, PDB code: 8ecc:
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-Pppi(2,5) Pa


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-Pppi(2,5) Pa within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg602 b:34.7 occ:1.00 OE1 A:GLU211 2.1 42.8 1.0 O2G A:ATP601 2.4 46.1 1.0 O2B A:ATP601 2.7 47.0 1.0 OG A:SER199 2.7 34.5 1.0 OD2 A:ASP213 2.7 37.3 1.0 O A:HOH721 3.3 24.0 1.0 O A:GLU211 3.3 38.8 1.0 CD A:GLU211 3.4 41.7 1.0 PG A:ATP601 3.4 46.8 1.0 O2A A:ATP601 3.5 46.6 1.0 N A:SER199 3.7 31.9 1.0 O1G A:ATP601 3.7 42.7 1.0 CG A:ASP213 3.8 36.8 1.0 CB A:SER199 3.8 32.0 1.0 PB A:ATP601 3.9 46.6 1.0 O3B A:ATP601 3.9 46.1 1.0 C A:GLU211 3.9 38.9 1.0 OE2 A:GLU211 4.2 42.2 1.0 CB A:GLU211 4.2 40.9 1.0 CD A:LYS205 4.2 36.4 1.0 CA A:SER199 4.2 31.1 1.0 N A:TYR200 4.3 30.6 1.0 CG A:GLU211 4.3 41.7 1.0 OD1 A:ASP213 4.4 37.6 1.0 N A:PHE212 4.5 38.6 1.0 C A:GLY198 4.5 32.2 1.0 O3A A:ATP601 4.6 47.8 1.0 CE A:LYS205 4.7 37.8 1.0 CA A:GLY198 4.7 32.9 1.0 PA A:ATP601 4.7 46.8 1.0 CA A:PHE212 4.7 37.7 1.0 CA A:GLU211 4.7 39.9 1.0 O3G A:ATP601 4.8 45.4 1.0 C A:SER199 4.8 30.6 1.0 N A:ASP213 4.8 36.1 1.0 C A:PHE212 4.9 37.1 1.0 CB A:ASP213 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-Pppi(2,5) Pa


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-Pppi(2,5) Pa within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg602 b:54.0 occ:1.00 O15 C:VWX601 2.0 57.1 1.0 OE1 C:GLU211 2.0 46.8 1.0 O11 C:VWX601 2.1 57.8 1.0 OD2 C:ASP213 2.3 40.6 1.0 O C:HOH701 2.5 29.3 1.0 O8 C:VWX601 2.9 58.7 1.0 P3 C:VWX601 3.1 55.7 1.0 CD C:GLU211 3.1 47.6 1.0 P4 C:VWX601 3.3 51.8 1.0 CG C:ASP213 3.4 41.0 1.0 O10 C:VWX601 3.4 58.7 1.0 O13 C:VWX601 3.4 55.0 1.0 OG C:SER199 3.5 38.2 1.0 P2 C:VWX601 3.5 56.4 1.0 OE2 C:GLU211 3.7 50.1 1.0 OD1 C:ASP213 3.8 42.4 1.0 N C:SER199 3.9 35.2 1.0 O9 C:VWX601 4.0 59.0 1.0 O16 C:VWX601 4.1 52.6 1.0 O C:HOH711 4.2 27.8 1.0 O C:GLU211 4.3 40.5 1.0 CG C:GLU211 4.3 46.2 1.0 CB C:SER199 4.3 36.1 1.0 O14 C:VWX601 4.4 51.8 1.0 O12 C:VWX601 4.5 56.2 1.0 CB C:GLU211 4.6 44.9 1.0 CA C:GLY198 4.6 35.7 1.0 CB C:ASP213 4.7 40.6 1.0 C C:GLU211 4.7 41.7 1.0 CA C:SER199 4.7 35.1 1.0 C C:GLY198 4.7 35.1 1.0

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