Calcium in PDB 8b2j: Crystal Structure of Human Sting in Complex with Adu-S100

The structure of Crystal Structure of Human Sting in Complex with Adu-S100, PDB code: 8b2j was solved by A.Nawrotek, L.Vuillard, L.Miallau, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	68.16 / 2.17
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	67.357, 67.368, 136.317, 90, 90, 90
R / Rfree (%)	24.2 / 28.5

The structure of Crystal Structure of Human Sting in Complex with Adu-S100 also contains other interesting chemical elements:

Sodium

(Na)

8 atoms

The binding sites of Calcium atom in the Crystal Structure of Human Sting in Complex with Adu-S100 (pdb code 8b2j). 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 Human Sting in Complex with Adu-S100, PDB code: 8b2j:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Human Sting in Complex with Adu-S100


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 in Complex with Adu-S100 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:36.6 occ:1.00 O A:ARG191 2.8 39.7 1.0 O A:ASN188 2.8 38.1 1.0 OD1 A:ASN187 2.9 47.5 1.0 CG A:ASN187 3.8 45.1 1.0 C A:ASN188 3.9 37.8 1.0 C A:ARG191 4.0 38.9 1.0 ND2 A:ASN187 4.0 45.7 1.0 N A:ALA193 4.2 37.8 1.0 CA A:GLY192 4.4 38.7 1.0 CA A:LEU189 4.6 38.0 1.0 N A:ASN188 4.6 38.1 1.0 N A:LEU189 4.6 37.7 1.0 N A:GLY192 4.6 38.8 1.0 C A:GLY192 4.7 38.5 1.0 CA A:ASN188 4.9 37.4 1.0 CB A:ALA193 4.9 37.5 1.0 C A:LEU189 4.9 37.2 1.0 N A:ARG191 4.9 37.6 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Human Sting in Complex with Adu-S100


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 Human Sting in Complex with Adu-S100 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca401 b:36.9 occ:1.00 OD1 B:ASN187 2.7 46.2 1.0 O B:ARG191 2.8 39.9 1.0 O B:ASN188 2.9 37.3 1.0 CG B:ASN187 3.7 44.2 1.0 C B:ASN188 3.9 37.1 1.0 ND2 B:ASN187 4.0 45.2 1.0 C B:ARG191 4.0 39.0 1.0 N B:ALA193 4.2 37.6 1.0 CA B:GLY192 4.4 38.4 1.0 N B:ASN188 4.6 37.8 1.0 N B:LEU189 4.6 37.2 1.0 C B:GLY192 4.7 38.1 1.0 CA B:LEU189 4.7 37.8 1.0 N B:GLY192 4.7 38.5 1.0 CB B:ALA193 4.9 37.5 1.0 CA B:ASN188 4.9 37.0 1.0 C B:LEU189 4.9 36.6 1.0 N B:ARG191 5.0 37.7 1.0

A.Nawrotek, L.Vuillard, L.Miallau. Crystal Structure of Human Sting in Complex with Adu-S100 To Be Published.