Manganese in PDB 7v0w: Structure of Ternary Complex of Cgas with Dsdna and Bound 5 -Pppg(2,5 )Pa

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

The structure of Structure of Ternary Complex of Cgas with Dsdna and Bound 5 -Pppg(2,5 )Pa, PDB code: 7v0w was solved by S.Wu, S.B.Gabelli, J.Sohn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.91 / 2.66
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	78.475, 99.474, 142.088, 90, 90, 90
R / Rfree (%)	19.9 / 23.8

The structure of Structure of Ternary Complex of Cgas with Dsdna and Bound 5 -Pppg(2,5 )Pa also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Manganese atom in the Structure of Ternary Complex of Cgas with Dsdna and Bound 5 -Pppg(2,5 )Pa (pdb code 7v0w). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Structure of Ternary Complex of Cgas with Dsdna and Bound 5 -Pppg(2,5 )Pa, PDB code: 7v0w:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Structure of Ternary Complex of Cgas with Dsdna and Bound 5 -Pppg(2,5 )Pa


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Structure of Ternary Complex of Cgas with Dsdna and Bound 5 -Pppg(2,5 )Pa within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn602 b:85.3 occ:1.00 O1G A:GTP604 2.0 59.8 1.0 O2A A:GTP604 2.2 58.5 1.0 OE1 A:GLN211 2.3 59.7 1.0 O A:HOH706 2.3 49.4 1.0 OD1 A:ASN213 2.3 57.8 1.0 O1B A:GTP604 2.3 55.3 1.0 CG A:ASN213 3.2 57.7 1.0 CD A:GLN211 3.3 59.6 1.0 PG A:GTP604 3.3 58.2 1.0 PB A:GTP604 3.3 56.8 1.0 PA A:GTP604 3.4 56.3 1.0 ND2 A:ASN213 3.5 59.3 1.0 O3A A:GTP604 3.5 57.6 1.0 O3B A:GTP604 3.6 57.8 1.0 OG A:SER199 3.7 49.1 1.0 NE2 A:GLN211 3.8 61.5 1.0 O A:HOH710 4.0 52.8 1.0 O2G A:GTP604 4.0 56.9 1.0 N A:SER199 4.2 49.5 1.0 O A:GLN211 4.3 57.5 1.0 O1A A:GTP604 4.3 54.8 1.0 O3G A:GTP604 4.5 57.8 1.0 CG A:GLN211 4.5 60.7 1.0 O5' A:GTP604 4.5 62.0 1.0 C A:GLN211 4.6 58.9 1.0 CB A:ASN213 4.6 57.7 1.0 CB A:SER199 4.6 48.5 1.0 CB A:GLN211 4.7 60.0 1.0 O2B A:GTP604 4.7 59.5 1.0 CA A:GLY198 4.8 50.5 1.0 N A:ASN213 4.8 58.8 1.0 N A:PHE212 5.0 60.3 1.0 C A:PHE212 5.0 59.5 1.0 C A:GLY198 5.0 49.7 1.0 CA A:SER199 5.0 48.3 1.0

Manganese binding site 2 out of 2 in the Structure of Ternary Complex of Cgas with Dsdna and Bound 5 -Pppg(2,5 )Pa


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Structure of Ternary Complex of Cgas with Dsdna and Bound 5 -Pppg(2,5 )Pa within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn602 b:84.5 occ:1.00 O2A C:GTP604 2.2 57.7 1.0 O1G C:GTP604 2.2 58.4 1.0 OE1 C:GLN211 2.3 62.5 1.0 O C:HOH706 2.3 47.2 1.0 O1B C:GTP604 2.3 59.4 1.0 OD1 C:ASN213 2.3 55.6 1.0 CG C:ASN213 3.3 56.0 1.0 PB C:GTP604 3.3 58.0 1.0 PA C:GTP604 3.3 58.7 1.0 CD C:GLN211 3.3 62.6 1.0 PG C:GTP604 3.4 56.1 1.0 O3A C:GTP604 3.5 58.0 1.0 ND2 C:ASN213 3.6 56.5 1.0 O3B C:GTP604 3.6 56.5 1.0 OG C:SER199 3.7 55.4 1.0 NE2 C:GLN211 3.9 64.0 1.0 O C:HOH709 4.0 42.9 1.0 N C:SER199 4.1 54.3 1.0 O2G C:GTP604 4.2 54.3 1.0 O1A C:GTP604 4.2 58.3 1.0 O C:GLN211 4.2 57.4 1.0 CG C:GLN211 4.5 63.0 1.0 O5' C:GTP604 4.5 61.2 1.0 O3G C:GTP604 4.6 55.5 1.0 CB C:SER199 4.6 53.2 1.0 C C:GLN211 4.6 59.9 1.0 CB C:ASN213 4.7 57.1 1.0 CB C:GLN211 4.7 62.2 1.0 CA C:GLY198 4.7 53.6 1.0 O2B C:GTP604 4.7 60.5 1.0 N C:ASN213 4.8 58.4 1.0 C C:GLY198 4.9 54.2 1.0 CA C:SER199 4.9 53.3 1.0 N C:PHE212 4.9 60.0 1.0 C C:PHE212 5.0 58.6 1.0

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