Zinc in PDB 4k98: Structure of Ternary Complex of Cgas with Dsdna and Bound 5 -Pppg(2 ,5 )Pg

The structure of Structure of Ternary Complex of Cgas with Dsdna and Bound 5 -Pppg(2 ,5 )Pg, PDB code: 4k98 was solved by P.Gao, Y.Wu, D.J.Patel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.45 / 1.94
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	85.375, 97.877, 133.465, 90.00, 90.00, 90.00
R / Rfree (%)	15.7 / 19.9

The structure of Structure of Ternary Complex of Cgas with Dsdna and Bound 5 -Pppg(2 ,5 )Pg 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 -Pppg(2 ,5 )Pg (pdb code 4k98). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Structure of Ternary Complex of Cgas with Dsdna and Bound 5 -Pppg(2 ,5 )Pg, PDB code: 4k98:

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


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 -Pppg(2 ,5 )Pg within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn601 b:22.5 occ:1.00 NE2 A:HIS378 2.2 24.5 1.0 SG A:CYS384 2.3 18.9 1.0 SG A:CYS385 2.4 21.0 1.0 SG A:CYS392 2.4 19.7 1.0 CD2 A:HIS378 3.0 15.5 1.0 CE1 A:HIS378 3.3 21.5 1.0 CB A:CYS385 3.4 22.6 1.0 CB A:CYS392 3.4 21.7 1.0 N A:CYS385 3.6 17.6 1.0 CB A:CYS384 3.6 17.7 1.0 N A:CYS392 3.7 24.3 1.0 C A:CYS384 3.7 18.7 1.0 CA A:CYS385 4.1 21.4 1.0 CA A:CYS392 4.1 22.7 1.0 O A:HOH742 4.1 25.6 1.0 O A:CYS384 4.1 15.8 1.0 CG A:HIS378 4.2 15.2 1.0 CA A:CYS384 4.2 16.7 1.0 ND1 A:HIS378 4.3 18.1 1.0 NH1 A:ARG394 4.3 16.6 1.0 O A:HOH740 4.5 20.5 1.0 O A:HOH721 4.6 20.4 1.0 C A:CYS392 4.7 22.2 1.0 O A:ALA390 4.7 22.0 1.0 C A:LYS391 4.7 24.6 1.0 O A:CYS392 4.7 20.9 1.0 O D:HOH106 4.8 30.6 1.0

P.Gao, M.Ascano, Y.Wu, W.Barchet, B.L.Gaffney, T.Zillinger, A.A.Serganov, Y.Liu, R.A.Jones, G.Hartmann, T.Tuschl, D.J.Patel. Cyclic [G(2',5')Pa(3',5')P] Is the Metazoan Second Messenger Produced By Dna-Activated Cyclic Gmp-Amp Synthase. Cell(Cambridge,Mass.) V. 153 1094 2013.
ISSN: ISSN 0092-8674
PubMed: 23647843
DOI: 10.1016/J.CELL.2013.04.046