Magnesium in PDB 8g1j: Structure of Ternary Complex of Cgas with Dsdna and Bound Atp and Itp

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

The structure of Structure of Ternary Complex of Cgas with Dsdna and Bound Atp and Itp, PDB code: 8g1j 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)	29.60 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	78.087, 98.484, 142.1, 90, 90, 90
R / Rfree (%)	20.1 / 23.4

The structure of Structure of Ternary Complex of Cgas with Dsdna and Bound Atp and Itp 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 Itp (pdb code 8g1j). 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 Itp, PDB code: 8g1j:
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 Itp


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 Itp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg603 b:46.1 occ:1.00 O3G A:ATP601 2.0 43.0 1.0 OE1 A:GLN211 2.1 45.1 1.0 O2A A:ATP601 2.1 45.2 1.0 O2B A:ATP601 2.1 42.5 1.0 OD1 A:ASN213 2.2 47.1 1.0 O A:HOH724 2.2 40.8 1.0 CD A:GLN211 3.1 46.7 1.0 PB A:ATP601 3.1 39.4 1.0 CG A:ASN213 3.1 45.8 1.0 PG A:ATP601 3.2 43.1 1.0 PA A:ATP601 3.3 46.0 1.0 O3A A:ATP601 3.3 46.3 1.0 O3B A:ATP601 3.3 46.3 1.0 ND2 A:ASN213 3.4 43.0 1.0 NE2 A:GLN211 3.6 48.1 1.0 OG A:SER199 3.9 41.0 1.0 O2G A:ATP601 4.1 40.4 1.0 O A:HOH729 4.1 41.9 1.0 N A:SER199 4.2 39.3 1.0 O A:GLN211 4.2 44.7 1.0 C5' A:ATP601 4.3 48.8 1.0 O5' A:ATP601 4.3 48.0 1.0 O1G A:ATP601 4.3 44.4 1.0 CG A:GLN211 4.4 45.0 1.0 O1A A:ATP601 4.4 49.6 1.0 O1B A:ATP601 4.5 49.3 1.0 CB A:ASN213 4.5 43.3 1.0 CB A:GLN211 4.6 44.6 1.0 CB A:SER199 4.7 40.9 1.0 C A:GLN211 4.7 43.8 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 Itp


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 Itp within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg603 b:47.5 occ:1.00 O2A C:ATP601 2.0 48.9 1.0 O2B C:ATP601 2.0 47.3 1.0 O3G C:ATP601 2.0 46.4 1.0 OE1 C:GLN211 2.2 48.2 1.0 OD1 C:ASN213 2.2 49.4 1.0 O C:HOH705 2.3 43.7 1.0 PB C:ATP601 3.1 45.5 1.0 CG C:ASN213 3.1 47.6 1.0 CD C:GLN211 3.2 49.1 1.0 PA C:ATP601 3.2 47.0 1.0 O3A C:ATP601 3.3 47.5 1.0 PG C:ATP601 3.3 42.8 1.0 O3B C:ATP601 3.4 45.2 1.0 ND2 C:ASN213 3.4 47.2 1.0 NE2 C:GLN211 3.6 51.0 1.0 OG C:SER199 3.9 43.3 1.0 C5' C:ATP601 4.1 49.0 1.0 O2G C:ATP601 4.2 44.5 1.0 O5' C:ATP601 4.2 50.3 1.0 N C:SER199 4.2 42.5 1.0 O1G C:ATP601 4.3 44.7 1.0 O1A C:ATP601 4.4 47.2 1.0 O C:HOH721 4.4 43.9 1.0 O1B C:ATP601 4.4 47.7 1.0 CG C:GLN211 4.5 50.2 1.0 CB C:ASN213 4.5 47.5 1.0 O C:GLN211 4.6 49.0 1.0 CB C:GLN211 4.6 49.3 1.0 CB C:SER199 4.7 44.5 1.0 CA C:GLY198 4.8 44.3 1.0 C C:GLN211 4.9 48.9 1.0 C C:GLY198 5.0 43.6 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