Zinc in PDB 4k96: Structure of Binary Complex of Cgas with Bound Dsdna

The structure of Structure of Binary Complex of Cgas with Bound Dsdna, PDB code: 4k96 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)	45.07 / 2.08
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	181.910, 93.801, 75.509, 90.00, 97.72, 90.00
R / Rfree (%)	20.2 / 22.6

The binding sites of Zinc atom in the Structure of Binary Complex of Cgas with Bound Dsdna (pdb code 4k96). 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 Binary Complex of Cgas with Bound Dsdna, PDB code: 4k96:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Structure of Binary Complex of Cgas with Bound Dsdna


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of Binary Complex of Cgas with Bound Dsdna within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn601 b:25.9 occ:1.00 NE2 A:HIS378 2.2 23.9 1.0 SG A:CYS385 2.3 24.8 1.0 SG A:CYS384 2.3 23.9 1.0 SG A:CYS392 2.4 26.2 1.0 CD2 A:HIS378 2.9 17.5 1.0 CE1 A:HIS378 3.3 26.2 1.0 CB A:CYS385 3.3 25.5 1.0 CB A:CYS392 3.3 23.6 1.0 CB A:CYS384 3.6 27.3 1.0 N A:CYS385 3.7 24.9 1.0 C A:CYS384 3.7 23.1 1.0 N A:CYS392 3.8 26.6 1.0 O A:HOH711 3.9 26.2 1.0 O A:CYS384 4.1 22.5 1.0 CA A:CYS385 4.1 20.7 1.0 CA A:CYS392 4.1 33.2 1.0 CG A:HIS378 4.2 25.3 1.0 CA A:CYS384 4.2 25.3 1.0 NH1 A:ARG394 4.3 21.8 1.0 ND1 A:HIS378 4.3 29.2 1.0 O A:HOH734 4.6 26.7 1.0 O A:HOH828 4.6 28.0 1.0 O A:ALA390 4.7 25.9 1.0 C A:CYS392 4.8 31.8 1.0 C A:LYS391 4.8 32.8 1.0 O A:CYS392 4.8 32.4 1.0 O A:HOH819 4.9 36.8 1.0

Zinc binding site 2 out of 2 in the Structure of Binary Complex of Cgas with Bound Dsdna


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of Binary Complex of Cgas with Bound Dsdna within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn601 b:88.0 occ:1.00 O B:HOH856 2.6 32.5 1.0 O B:HOH706 2.9 20.6 1.0 N B:HIS378 3.0 21.2 1.0 O A:HOH736 3.2 21.0 1.0 ND1 B:HIS378 3.3 23.0 1.0 CE1 B:HIS378 3.3 17.0 1.0 O B:ASN376 3.3 25.7 1.0 O B:CYS384 3.4 29.5 1.0 CA B:ASN377 3.5 18.6 1.0 CG B:HIS378 3.6 25.6 1.0 NE2 B:HIS378 3.6 30.7 1.0 C B:ASN377 3.7 16.5 1.0 C B:ASN376 3.7 22.4 1.0 CD2 B:HIS378 3.7 22.7 1.0 N B:ASN377 3.8 17.2 1.0 N B:GLY379 3.9 23.6 1.0 CA B:HIS378 4.1 31.2 1.0 CB B:HIS378 4.3 27.7 1.0 NZ A:LYS335 4.4 22.1 1.0 C B:CYS384 4.4 26.4 1.0 C B:HIS378 4.4 23.0 1.0 O G:HOH115 4.6 28.7 1.0 CB B:CYS384 4.6 19.5 1.0 SG B:CYS384 4.8 25.6 1.0 CB B:ASN377 4.8 16.3 1.0 O B:ASN377 4.8 19.9 1.0 O B:LEU375 4.8 20.9 1.0 CA B:GLY379 4.9 21.1 1.0 CA B:ASN376 4.9 26.4 1.0 CE A:LYS335 4.9 22.2 1.0 CB B:CYS385 5.0 19.9 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