Zinc in PDB 5xze: Mouse Cgas Bound to the Inhibitor RU332

All present enzymatic activity of Mouse Cgas Bound to the Inhibitor RU332:
2.7.7.86;

The structure of Mouse Cgas Bound to the Inhibitor RU332, PDB code: 5xze was solved by J.Vincent, C.Adura, P.Gao, A.Luz, L.Lama, Y.Asano, R.Okamoto, T.Imaeda, J.Aida, K.Rothamel, T.Gogakos, J.Steinberg, S.Reasoner, K.Aso, T.Tuschl, D.J.Patel, J.F.Glickman, M.Ascano, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.20 / 2.18
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	85.285, 98.633, 129.175, 90.00, 90.00, 90.00
R / Rfree (%)	24.2 / 28.1

The binding sites of Zinc atom in the Mouse Cgas Bound to the Inhibitor RU332 (pdb code 5xze). 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 Mouse Cgas Bound to the Inhibitor RU332, PDB code: 5xze:

Zinc binding site 1 out of 1 in the Mouse Cgas Bound to the Inhibitor RU332


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Mouse Cgas Bound to the Inhibitor RU332 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn601 b:39.6 occ:0.00 SG A:CYS392 2.2 31.7 1.0 NE2 A:HIS378 2.2 48.8 1.0 SG A:CYS384 2.5 50.5 1.0 SG A:CYS385 2.5 43.0 1.0 CD2 A:HIS378 3.0 47.6 1.0 CE1 A:HIS378 3.3 48.8 1.0 CB A:CYS392 3.4 31.6 1.0 CB A:CYS384 3.6 39.9 1.0 CB A:CYS385 3.6 38.2 1.0 N A:CYS392 3.7 53.7 1.0 C A:CYS384 3.8 37.2 1.0 N A:CYS385 3.9 37.6 1.0 CA A:CYS392 4.1 55.9 1.0 O A:CYS384 4.2 36.2 1.0 CG A:HIS378 4.2 46.3 1.0 CA A:CYS384 4.2 39.2 1.0 NH1 A:ARG394 4.2 35.9 1.0 CA A:CYS385 4.3 38.8 1.0 ND1 A:HIS378 4.3 47.6 1.0 C A:CYS392 4.6 38.9 1.0 O A:ALA390 4.6 45.2 1.0 O A:CYS392 4.7 39.3 1.0 C A:LYS391 4.7 51.4 1.0

J.Vincent, C.Adura, P.Gao, A.Luz, L.Lama, Y.Asano, R.Okamoto, T.Imaeda, J.Aida, K.Rothamel, T.Gogakos, J.Steinberg, S.Reasoner, K.Aso, T.Tuschl, D.J.Patel, J.F.Glickman, M.Ascano. Small Molecule Inhibition of Cgas Reduces Interferon Expression in Primary Macrophages From Autoimmune Mice. Nat Commun V. 8 750 2017.
ISSN: ESSN 2041-1723
PubMed: 28963528
DOI: 10.1038/S41467-017-00833-9