Zinc in PDB 5vdt: Human Cyclic Gmp-Amp Synthase (Cgas) in Complex with 3',3'-Cgamp

All present enzymatic activity of Human Cyclic Gmp-Amp Synthase (Cgas) in Complex with 3',3'-Cgamp:
2.7.7.86;

The structure of Human Cyclic Gmp-Amp Synthase (Cgas) in Complex with 3',3'-Cgamp, PDB code: 5vdt was solved by L.J.Byrnes, J.D.Hall, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	55.31 / 2.58
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	213.896, 47.975, 88.274, 90.00, 110.07, 90.00
R / Rfree (%)	20.2 / 23.6

The binding sites of Zinc atom in the Human Cyclic Gmp-Amp Synthase (Cgas) in Complex with 3',3'-Cgamp (pdb code 5vdt). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Human Cyclic Gmp-Amp Synthase (Cgas) in Complex with 3',3'-Cgamp, PDB code: 5vdt:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Human Cyclic Gmp-Amp Synthase (Cgas) in Complex with 3',3'-Cgamp


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Human Cyclic Gmp-Amp Synthase (Cgas) in Complex with 3',3'-Cgamp within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn601 b:50.1 occ:1.00 NE2 A:HIS390 2.2 39.7 1.0 SG A:CYS397 2.3 43.5 1.0 SG A:CYS404 2.4 37.2 1.0 SG A:CYS396 2.4 46.6 1.0 CD2 A:HIS390 2.9 33.9 1.0 CB A:CYS397 3.3 44.8 1.0 CE1 A:HIS390 3.4 45.1 1.0 O A:HOH771 3.5 32.0 1.0 CB A:CYS404 3.6 39.5 1.0 CB A:CYS396 3.6 44.5 1.0 N A:CYS397 3.7 40.4 1.0 C A:CYS396 3.8 43.7 1.0 N A:CYS404 4.1 44.9 1.0 O A:CYS396 4.1 43.0 1.0 CA A:CYS397 4.1 48.3 1.0 CG A:HIS390 4.1 34.7 1.0 CA A:CYS396 4.3 41.0 1.0 CA A:CYS404 4.3 41.5 1.0 ND1 A:HIS390 4.3 32.2 1.0 NH1 A:ARG406 4.4 33.5 1.0 O A:GLU402 4.6 63.9 1.0 C A:CYS404 4.8 42.3 1.0 O A:CYS404 4.9 45.7 1.0

Zinc binding site 2 out of 2 in the Human Cyclic Gmp-Amp Synthase (Cgas) in Complex with 3',3'-Cgamp


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Human Cyclic Gmp-Amp Synthase (Cgas) in Complex with 3',3'-Cgamp within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn601 b:62.9 occ:1.00 NE2 B:HIS390 2.1 33.0 1.0 SG B:CYS397 2.3 37.9 1.0 SG B:CYS396 2.4 41.8 1.0 SG B:CYS404 2.4 36.3 1.0 CD2 B:HIS390 2.8 31.6 1.0 CE1 B:HIS390 3.3 37.0 1.0 CB B:CYS397 3.3 43.9 1.0 O B:HOH761 3.4 32.9 1.0 CB B:CYS404 3.5 35.3 1.0 CB B:CYS396 3.6 39.4 1.0 N B:CYS397 3.7 40.8 1.0 C B:CYS396 3.8 44.0 1.0 N B:CYS404 4.0 43.3 1.0 CA B:CYS397 4.1 47.0 1.0 CG B:HIS390 4.1 35.8 1.0 O B:CYS396 4.2 48.3 1.0 CA B:CYS396 4.3 42.2 1.0 ND1 B:HIS390 4.3 34.8 1.0 CA B:CYS404 4.3 37.1 1.0 O B:GLU402 4.4 67.1 1.0 NH1 B:ARG406 4.5 31.4 1.0 C B:CYS404 4.8 44.1 1.0 O B:CYS404 4.9 53.1 1.0

J.Hall, E.C.Ralph, S.Shanker, H.Wang, L.J.Byrnes, R.Horst, J.Wong, A.Brault, D.Dumlao, J.F.Smith, L.A.Dakin, D.C.Schmitt, J.Trujillo, F.Vincent, M.Griffor, A.E.Aulabaugh. The Catalytic Mechanism of Cyclic Gmp-Amp Synthase (Cgas) and Implications For Innate Immunity and Inhibition. Protein Sci. V. 26 2367 2017.
ISSN: ESSN 1469-896X
PubMed: 28940468
DOI: 10.1002/PRO.3304