Magnesium in PDB 8gim: Structure of Ternary Complex of Mouse Cgas with Dsdna and Bound Atp: with 10MM MG2+

Enzymatic activity of Structure of Ternary Complex of Mouse Cgas with Dsdna and Bound Atp: with 10MM MG2+

All present enzymatic activity of Structure of Ternary Complex of Mouse Cgas with Dsdna and Bound Atp: with 10MM MG2+:
2.7.7.86;

Protein crystallography data

The structure of Structure of Ternary Complex of Mouse Cgas with Dsdna and Bound Atp: with 10MM MG2+, PDB code: 8gim 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) 29.69 / 2.63
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 77.899, 97.999, 142.474, 90, 90, 90
R / Rfree (%) 19 / 23

Other elements in 8gim:

The structure of Structure of Ternary Complex of Mouse Cgas with Dsdna and Bound Atp: with 10MM MG2+ also contains other interesting chemical elements:

Zinc (Zn) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Structure of Ternary Complex of Mouse Cgas with Dsdna and Bound Atp: with 10MM MG2+ (pdb code 8gim). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Structure of Ternary Complex of Mouse Cgas with Dsdna and Bound Atp: with 10MM MG2+, PDB code: 8gim:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 8gim

Go back to Magnesium Binding Sites List in 8gim
Magnesium binding site 1 out of 4 in the Structure of Ternary Complex of Mouse Cgas with Dsdna and Bound Atp: with 10MM MG2+


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 Mouse Cgas with Dsdna and Bound Atp: with 10MM MG2+ within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg603

b:48.4
occ:1.00
 OD2 A:ASP307 2.2 50.7 1.0
OE2 A:GLU211 2.2 45.9 1.0
OD1 A:ASP213 2.4 45.4 1.0
O2A A:ATP601 2.5 41.1 1.0
PA A:ATP601 3.1 39.7 1.0
CD A:GLU211 3.3 46.4 1.0
O1A A:ATP601 3.3 44.2 1.0
CG A:ASP307 3.4 50.0 1.0
CG A:ASP213 3.5 45.8 1.0
O5' A:ATP601 3.5 38.7 1.0
OE1 A:GLU211 3.7 47.6 1.0
OD2 A:ASP213 3.9 44.9 1.0
C5' A:ATP601 4.2 41.5 1.0
CB A:ASP307 4.2 47.6 1.0
OD1 A:ASP307 4.3 48.5 1.0
O3A A:ATP601 4.6 44.0 1.0
CG A:GLU211 4.6 43.8 1.0
MG A:MG604 4.6 43.9 1.0
O3G A:ATP601 4.7 44.2 1.0
CB A:ASP213 4.7 43.7 1.0

Magnesium binding site 2 out of 4 in 8gim

Go back to Magnesium Binding Sites List in 8gim
Magnesium binding site 2 out of 4 in the Structure of Ternary Complex of Mouse Cgas with Dsdna and Bound Atp: with 10MM MG2+


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 Mouse Cgas with Dsdna and Bound Atp: with 10MM MG2+ within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg604

b:43.9
occ:1.00
 OE1 A:GLU211 2.1 47.6 1.0
O3G A:ATP601 2.2 44.2 1.0
OD2 A:ASP213 2.3 44.9 1.0
O2B A:ATP601 2.3 40.8 1.0
O2A A:ATP601 2.7 41.1 1.0
CD A:GLU211 3.3 46.4 1.0
PG A:ATP601 3.4 42.2 1.0
CG A:ASP213 3.4 45.8 1.0
OG A:SER199 3.4 44.7 1.0
PB A:ATP601 3.5 42.9 1.0
O A:HOH709 3.5 40.6 1.0
O3B A:ATP601 3.5 41.0 1.0
O A:GLU211 3.6 47.7 1.0
O2G A:ATP601 3.8 39.4 1.0
N A:SER199 3.8 42.4 1.0
OD1 A:ASP213 3.9 45.4 1.0
OE2 A:GLU211 3.9 45.9 1.0
O3A A:ATP601 3.9 44.0 1.0
PA A:ATP601 4.0 39.7 1.0
C A:GLU211 4.3 46.0 1.0
CB A:GLU211 4.4 45.0 1.0
CB A:SER199 4.4 42.0 1.0
CG A:GLU211 4.4 43.8 1.0
CA A:GLY198 4.6 41.2 1.0
MG A:MG603 4.6 48.4 1.0
CB A:ASP213 4.6 43.7 1.0
O1G A:ATP601 4.6 43.7 1.0
C A:GLY198 4.7 42.4 1.0
CA A:SER199 4.7 41.6 1.0
C5' A:ATP601 4.7 41.5 1.0
N A:ASP213 4.7 43.5 1.0
N A:TYR200 4.8 44.5 1.0
O1B A:ATP601 4.8 44.9 1.0
CD A:LYS205 4.8 44.0 1.0
O5' A:ATP601 4.9 38.7 1.0
C A:PHE212 4.9 44.4 1.0
N A:PHE212 4.9 47.0 1.0

Magnesium binding site 3 out of 4 in 8gim

Go back to Magnesium Binding Sites List in 8gim
Magnesium binding site 3 out of 4 in the Structure of Ternary Complex of Mouse Cgas with Dsdna and Bound Atp: with 10MM MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structure of Ternary Complex of Mouse Cgas with Dsdna and Bound Atp: with 10MM MG2+ within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg603

b:50.0
occ:1.00
 OE2 C:GLU211 2.2 50.2 1.0
OD2 C:ASP307 2.3 54.1 1.0
OD1 C:ASP213 2.4 48.7 1.0
O2A C:ATP601 2.5 45.9 1.0
CD C:GLU211 3.2 50.8 1.0
PA C:ATP601 3.2 46.2 1.0
O1A C:ATP601 3.4 47.7 1.0
CG C:ASP213 3.4 49.7 1.0
CG C:ASP307 3.5 52.8 1.0
OE1 C:GLU211 3.5 50.3 1.0
O5' C:ATP601 3.7 43.0 1.0
OD2 C:ASP213 3.7 50.3 1.0
C5' C:ATP601 4.2 46.3 1.0
CB C:ASP307 4.2 51.4 1.0
OD1 C:ASP307 4.4 54.0 1.0
CG C:GLU211 4.4 47.8 1.0
O3A C:ATP601 4.6 49.2 1.0
O3G C:ATP601 4.7 47.2 1.0
CB C:ASP213 4.7 49.0 1.0
MG C:MG604 5.0 48.5 1.0

Magnesium binding site 4 out of 4 in 8gim

Go back to Magnesium Binding Sites List in 8gim
Magnesium binding site 4 out of 4 in the Structure of Ternary Complex of Mouse Cgas with Dsdna and Bound Atp: with 10MM MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Structure of Ternary Complex of Mouse Cgas with Dsdna and Bound Atp: with 10MM MG2+ within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg604

b:48.5
occ:1.00
 OE1 C:GLU211 2.3 50.3 1.0
O2B C:ATP601 2.4 45.7 1.0
OD2 C:ASP213 2.4 50.3 1.0
O3G C:ATP601 2.6 47.2 1.0
OG C:SER199 3.0 46.7 1.0
O2A C:ATP601 3.2 45.9 1.0
O C:HOH705 3.3 45.1 1.0
O C:GLU211 3.4 50.4 1.0
CD C:GLU211 3.5 50.8 1.0
N C:SER199 3.6 44.9 1.0
PB C:ATP601 3.6 45.7 1.0
CG C:ASP213 3.6 49.7 1.0
PG C:ATP601 3.7 47.0 1.0
O3B C:ATP601 3.7 45.6 1.0
O2G C:ATP601 3.9 46.2 1.0
CB C:SER199 3.9 44.8 1.0
C C:GLU211 4.1 51.1 1.0
O3A C:ATP601 4.3 49.2 1.0
N C:TYR200 4.3 45.7 1.0
OE2 C:GLU211 4.3 50.2 1.0
CA C:SER199 4.3 45.4 1.0
OD1 C:ASP213 4.3 48.7 1.0
CB C:GLU211 4.3 45.3 1.0
PA C:ATP601 4.5 46.2 1.0
C C:GLY198 4.5 45.0 1.0
CD C:LYS205 4.5 48.8 1.0
CG C:GLU211 4.5 47.8 1.0
CA C:GLY198 4.6 43.4 1.0
N C:PHE212 4.7 50.5 1.0
CB C:ASP213 4.7 49.0 1.0
N C:ASP213 4.7 50.2 1.0
CA C:PHE212 4.8 48.3 1.0
C C:SER199 4.8 46.5 1.0
O1B C:ATP601 4.8 45.4 1.0
CA C:GLU211 4.9 51.2 1.0
C C:PHE212 4.9 48.2 1.0
C5' C:ATP601 4.9 46.3 1.0
MG C:MG603 5.0 50.0 1.0

Reference:

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
Page generated: Fri Oct 4 03:09:43 2024

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