Calcium in PDB 6mx3: Crystal Structure of Human Sting (G230A, H232R, R293Q) in Complex with Compound 1

The structure of Crystal Structure of Human Sting (G230A, H232R, R293Q) in Complex with Compound 1, PDB code: 6mx3 was solved by C.A.Lesburg, T.Siu, T.Ho, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.91 / 1.36
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	70.200, 77.710, 125.410, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 20.2

The binding sites of Calcium atom in the Crystal Structure of Human Sting (G230A, H232R, R293Q) in Complex with Compound 1 (pdb code 6mx3). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Crystal Structure of Human Sting (G230A, H232R, R293Q) in Complex with Compound 1, PDB code: 6mx3:

Calcium binding site 1 out of 1 in the Crystal Structure of Human Sting (G230A, H232R, R293Q) in Complex with Compound 1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Human Sting (G230A, H232R, R293Q) in Complex with Compound 1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca402 b:15.3 occ:1.00 OD1 B:ASP320 2.3 21.5 1.0 O B:ALA318 2.3 14.1 1.0 O B:HOH575 2.5 17.4 1.0 C B:ALA318 3.4 14.2 1.0 CG B:ASP320 3.5 29.6 1.0 CA B:ALA318 4.1 13.9 1.0 OD2 B:ASP320 4.1 35.1 1.0 N B:ASP320 4.2 17.7 1.0 O B:PRO317 4.6 14.8 1.0 N B:ASP319 4.6 13.9 1.0 O B:HOH602 4.6 24.8 1.0 CB B:ASP320 4.6 22.1 1.0 CA B:ASP320 4.7 19.1 1.0 C B:ASP319 4.8 16.4 1.0 CA B:ASP319 4.8 13.2 1.0 CB B:ALA318 4.9 15.3 1.0

T.Siu, M.D.Altman, G.A.Baltus, M.Childers, J.M.Ellis, H.Gunaydin, H.Hatch, T.Ho, J.Jewell, B.M.Lacey, C.A.Lesburg, B.S.Pan, B.Sauvagnat, G.K.Schroeder, S.Xu. Discovery of A Novel Cgamp Competitive Ligand of the Inactive Form of Sting. Acs Med Chem Lett V. 10 92 2019.
ISSN: ISSN 1948-5875
PubMed: 30655953
DOI: 10.1021/ACSMEDCHEMLETT.8B00466