Zinc 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:

Magnesium

(Mg)

2 atoms

The binding sites of Zinc 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 Zinc atom.
In total 2 binding sites of Zinc where determined in the Structure of Ternary Complex of Cgas with Dsdna and Bound 5-Pppi(2,5) Pa, PDB code: 8ecc:
Jump to Zinc binding site number: 1; 2;

Zinc 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 Zinc with other atoms in the Zn 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:Zn603 b:30.6 occ:1.00 NE2 A:HIS378 1.9 34.2 1.0 SG A:CYS385 2.3 34.2 1.0 SG A:CYS384 2.3 32.4 1.0 SG A:CYS392 2.3 34.7 1.0 CD2 A:HIS378 2.9 33.5 1.0 CE1 A:HIS378 2.9 33.5 1.0 CB A:CYS392 3.3 35.8 1.0 CB A:CYS385 3.3 32.8 1.0 CB A:CYS384 3.5 31.7 1.0 N A:CYS385 3.8 32.9 1.0 N A:CYS392 3.8 37.9 1.0 C A:CYS384 3.8 31.8 1.0 O A:HOH725 3.8 40.3 1.0 ND1 A:HIS378 4.0 32.4 1.0 CG A:HIS378 4.0 32.6 1.0 CA A:CYS392 4.1 36.6 1.0 CA A:CYS385 4.1 32.9 1.0 CA A:CYS384 4.2 31.7 1.0 O A:CYS384 4.2 31.0 1.0 NH1 A:ARG394 4.2 31.6 1.0 C A:CYS392 4.6 35.8 1.0 O A:CYS392 4.7 35.9 1.0 O A:ALA390 4.8 36.7 1.0 C A:LYS391 4.9 40.2 1.0

Zinc 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 Zinc with other atoms in the Zn 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:Zn603 b:31.2 occ:1.00 NE2 C:HIS378 1.9 35.6 1.0 SG C:CYS385 2.3 35.0 1.0 SG C:CYS384 2.3 34.4 1.0 SG C:CYS392 2.3 37.1 1.0 CD2 C:HIS378 2.9 34.6 1.0 CE1 C:HIS378 2.9 35.4 1.0 CB C:CYS392 3.3 37.7 1.0 CB C:CYS385 3.3 35.0 1.0 CB C:CYS384 3.5 33.5 1.0 N C:CYS385 3.7 35.0 1.0 N C:CYS392 3.8 38.1 1.0 C C:CYS384 3.8 33.1 1.0 O C:HOH720 3.9 36.4 1.0 ND1 C:HIS378 4.0 34.5 1.0 CG C:HIS378 4.0 34.0 1.0 CA C:CYS392 4.1 38.0 1.0 CA C:CYS385 4.1 35.5 1.0 CA C:CYS384 4.2 32.9 1.0 NH1 C:ARG394 4.2 33.2 1.0 O C:CYS384 4.2 31.4 1.0 C C:CYS392 4.6 37.5 1.0 O C:CYS392 4.7 37.5 1.0 O C:ALA390 4.8 39.6 1.0 C C:LYS391 4.9 40.1 1.0

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