Magnesium in PDB 8g10: Structure of Ternary Complex of Cgas with Dsdna and Bound Itp and Gtp

All present enzymatic activity of Structure of Ternary Complex of Cgas with Dsdna and Bound Itp and Gtp:
2.7.7.86;

The structure of Structure of Ternary Complex of Cgas with Dsdna and Bound Itp and Gtp, PDB code: 8g10 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)	29.64 / 2.47
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	78.012, 98.659, 142.275, 90, 90, 90
R / Rfree (%)	19.4 / 22.7

The structure of Structure of Ternary Complex of Cgas with Dsdna and Bound Itp and Gtp 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 Itp and Gtp (pdb code 8g10). 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 Itp and Gtp, PDB code: 8g10:
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 Itp and Gtp


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 Itp and Gtp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg603 b:46.3 occ:1.00 O2G A:GTP602 1.9 44.5 1.0 O A:HOH710 2.0 41.4 1.0 O2B A:GTP602 2.1 40.9 1.0 OD1 A:ASN213 2.3 45.5 1.0 OE1 A:GLN211 2.3 44.4 1.0 O2A A:GTP602 2.3 45.1 1.0 PB A:GTP602 3.1 43.9 1.0 PG A:GTP602 3.2 42.0 1.0 CD A:GLN211 3.3 47.1 1.0 CG A:ASN213 3.3 45.6 1.0 PA A:GTP602 3.5 44.2 1.0 O3B A:GTP602 3.5 41.2 1.0 O3A A:GTP602 3.6 47.6 1.0 OG A:SER199 3.6 41.1 1.0 NE2 A:GLN211 3.8 49.8 1.0 ND2 A:ASN213 3.8 46.4 1.0 O3G A:GTP602 3.9 41.2 1.0 O A:GLN211 4.1 44.5 1.0 O A:HOH716 4.1 38.0 1.0 N A:SER199 4.1 38.5 1.0 O1G A:GTP602 4.3 45.9 1.0 C5' A:GTP602 4.4 54.8 1.0 O5' A:GTP602 4.4 50.1 1.0 CG A:GLN211 4.4 45.3 1.0 O1B A:GTP602 4.4 43.3 1.0 CB A:GLN211 4.5 44.4 1.0 CB A:SER199 4.5 39.9 1.0 O1A A:GTP602 4.6 49.2 1.0 CB A:ASN213 4.7 40.6 1.0 C A:GLN211 4.7 44.9 1.0 CA A:GLY198 4.8 40.6 1.0 CA A:SER199 4.9 41.8 1.0 C A:GLY198 4.9 40.0 1.0

Magnesium binding site 2 out of 2 in the Structure of Ternary Complex of Cgas with Dsdna and Bound Itp and Gtp


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 Itp and Gtp within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg603 b:48.0 occ:1.00 O2G C:GTP602 2.0 48.3 1.0 O2A C:GTP602 2.1 50.9 1.0 O2B C:GTP602 2.1 50.0 1.0 OE1 C:GLN211 2.2 50.8 1.0 OD1 C:ASN213 2.3 49.2 1.0 O C:HOH716 2.4 44.7 1.0 PB C:GTP602 3.1 47.8 1.0 CD C:GLN211 3.1 53.0 1.0 PG C:GTP602 3.2 44.0 1.0 PA C:GTP602 3.3 48.3 1.0 CG C:ASN213 3.4 49.3 1.0 O3A C:GTP602 3.4 48.9 1.0 O3B C:GTP602 3.5 45.1 1.0 NE2 C:GLN211 3.7 55.5 1.0 ND2 C:ASN213 3.8 50.2 1.0 OG C:SER199 3.9 45.8 1.0 O3G C:GTP602 3.9 42.6 1.0 O5' C:GTP602 4.2 50.8 1.0 N C:SER199 4.3 42.3 1.0 C5' C:GTP602 4.3 51.5 1.0 CG C:GLN211 4.3 50.2 1.0 O C:HOH709 4.4 41.8 1.0 O1G C:GTP602 4.4 49.0 1.0 O1A C:GTP602 4.4 47.0 1.0 O1B C:GTP602 4.5 48.3 1.0 CB C:GLN211 4.5 50.4 1.0 O C:GLN211 4.5 46.7 1.0 CB C:ASN213 4.7 46.3 1.0 CB C:SER199 4.7 43.4 1.0 C C:GLN211 4.8 50.0 1.0 CA C:GLY198 4.9 44.1 1.0

S.Wu, S.B.Gabelli, J.Sohn. The Structural Basis For 2'-5'/3'-5'-Cgamp Synthesis By Cgas Nat Commun V. 15 4012 2024.
ISSN: ESSN 2041-1723
DOI: 10.1038/S41467-024-48365-3