Calcium in PDB 6dxg: Amidobenzimidazole (Abzi) Sting Agonists

The structure of Amidobenzimidazole (Abzi) Sting Agonists, PDB code: 6dxg was solved by N.O.Concha, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.77 / 1.91
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	81.607, 92.221, 72.735, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 23.5

The binding sites of Calcium atom in the Amidobenzimidazole (Abzi) Sting Agonists (pdb code 6dxg). 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 Amidobenzimidazole (Abzi) Sting Agonists, PDB code: 6dxg:

Calcium binding site 1 out of 1 in the Amidobenzimidazole (Abzi) Sting Agonists


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Amidobenzimidazole (Abzi) Sting Agonists within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:41.8 occ:1.00 OD2 A:ASP205 2.4 42.7 1.0 O A:HOH546 2.4 47.2 1.0 O A:HOH548 2.5 41.9 1.0 OE1 A:GLU316 2.5 42.7 1.0 O A:HOH502 2.5 36.3 1.0 OE2 A:GLU316 2.6 60.6 1.0 CD A:GLU316 2.9 60.0 1.0 CG A:ASP205 3.3 43.4 1.0 OD1 A:ASP205 3.3 42.0 1.0 HA3 A:GLY207 4.0 45.6 1.0 O A:HOH511 4.3 36.3 1.0 CG A:GLU316 4.3 52.3 1.0 O A:HOH547 4.4 50.5 1.0 HB2 A:GLU316 4.4 64.6 1.0 O A:HOH521 4.5 49.6 1.0 HB2 A:PRO203 4.5 41.2 1.0 H A:GLY207 4.6 40.0 1.0 O A:HOH519 4.6 39.3 1.0 O A:GLY207 4.7 38.2 1.0 CB A:ASP205 4.7 40.7 1.0 HB3 A:PRO203 4.7 41.2 1.0 HG3 A:GLU316 4.7 62.9 1.0 HE2 A:TYR314 4.8 49.0 1.0 CA A:GLY207 4.8 38.0 1.0 HG2 A:GLU316 4.8 62.9 1.0 CB A:GLU316 4.9 53.8 1.0 HB3 A:ASP205 4.9 48.9 1.0 HB2 A:ASP205 5.0 48.9 1.0

J.M.Ramanjulu, G.S.Pesiridis, J.Yang, N.Concha, R.Singhaus, S.Y.Zhang, J.L.Tran, P.Moore, S.Lehmann, H.C.Eberl, M.Muelbaier, J.L.Schneck, J.Clemens, M.Adam, J.Mehlmann, J.Romano, A.Morales, J.Kang, L.Leister, T.L.Graybill, A.K.Charnley, G.Ye, N.Nevins, K.Behnia, A.I.Wolf, V.Kasparcova, K.Nurse, L.Wang, Y.Li, M.Klein, C.B.Hopson, J.Guss, M.Bantscheff, G.Bergamini, M.A.Reilly, Y.Lian, K.J.Duffy, J.Adams, K.P.Foley, P.J.Gough, R.W.Marquis, J.Smothers, A.Hoos, J.Bertin. Design of Amidobenzimidazole Sting Receptor Agonists with Systemic Activity. Nature V. 564 439 2018.
ISSN: ESSN 1476-4687
PubMed: 30405246
DOI: 10.1038/S41586-018-0705-Y