Calcium in PDB 7t9v: Crystal Structure of Hsting with the Agonist, SHR171032

The structure of Crystal Structure of Hsting with the Agonist, SHR171032, PDB code: 7t9v was solved by R.Chowdhury, M.Miller, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	60.55 / 2.68
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	91.307, 80.884, 73.13, 90, 89.99, 90
R / Rfree (%)	20.5 / 23.5

The binding sites of Calcium atom in the Crystal Structure of Hsting with the Agonist, SHR171032 (pdb code 7t9v). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Hsting with the Agonist, SHR171032, PDB code: 7t9v:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Hsting with the Agonist, SHR171032


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 Hsting with the Agonist, SHR171032 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:97.9 occ:1.00 O A:HOH520 2.2 88.5 1.0 OD2 A:ASP205 2.4 91.2 1.0 O A:HOH516 2.5 69.8 1.0 OE1 A:GLU316 2.5 116.4 1.0 OE2 A:GLU316 2.7 118.1 1.0 CD A:GLU316 2.9 118.8 1.0 CG A:ASP205 3.4 92.3 1.0 OD1 A:ASP205 3.7 87.6 1.0 CG A:GLU316 4.4 115.8 1.0 O A:HOH507 4.4 158.9 1.0 O A:HOH505 4.5 62.6 1.0 CB A:ASP205 4.8 85.4 1.0 O A:GLY207 4.8 84.0 1.0 CB A:GLU316 4.9 113.8 1.0 CA A:GLY207 4.9 68.5 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Hsting with the Agonist, SHR171032


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Hsting with the Agonist, SHR171032 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca401 b:104.7 occ:1.00 O B:HOH513 2.2 64.9 1.0 OE1 B:GLU316 2.2 126.7 1.0 OD2 B:ASP205 2.5 88.2 1.0 O B:HOH508 2.6 74.8 1.0 OE2 B:GLU316 2.8 122.6 1.0 CD B:GLU316 2.8 122.9 1.0 CG B:ASP205 3.3 90.7 1.0 OD1 B:ASP205 3.5 81.7 1.0 O B:HOH515 4.0 69.1 1.0 CG B:GLU316 4.3 108.9 1.0 O B:HOH517 4.4 65.2 1.0 O B:HOH523 4.5 69.2 1.0 O B:GLY207 4.6 80.2 1.0 CB B:ASP205 4.7 91.4 1.0 CA B:GLY207 4.8 67.5 1.0 CB B:GLU316 4.9 97.6 1.0

C.Song, D.Liu, S.Liu, D.Li, I.Horecny, X.Zhang, P.Li, L.Chen, M.Miller, R.Chowdhury, M.Issa, R.Shen, Y.Yan, F.Zhang, L.Zhang, L.Zhang, C.Bai, J.Feng, L.Zhuang, R.Zhang, J.Li, H.Wilkinson, J.Liu, W.Tao. SHR1032, A Novel Sting Agonist, Stimulates Anti-Tumor Immunity and Directly Induces Aml Apoptosis. Sci Rep V. 12 8579 2022.
ISSN: ESSN 2045-2322
PubMed: 35595822
DOI: 10.1038/S41598-022-12449-1