Calcium in PDB 2cl8: Dectin-1 in Complex with Beta-Glucan

The structure of Dectin-1 in Complex with Beta-Glucan, PDB code: 2cl8 was solved by J.Brown, C.A.O'callaghan, A.S.J.Marshall, R.J.C.Gilbert, C.Siebold, S.Gordon, G.D.Brown, E.Y.Jones, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	72.74 / 2.80
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	83.998, 83.998, 117.404, 90.00, 90.00, 120.00
R / Rfree (%)	19.1 / 24.5

The structure of Dectin-1 in Complex with Beta-Glucan also contains other interesting chemical elements:

Chlorine

(Cl)

4 atoms

The binding sites of Calcium atom in the Dectin-1 in Complex with Beta-Glucan (pdb code 2cl8). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Dectin-1 in Complex with Beta-Glucan, PDB code: 2cl8:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Dectin-1 in Complex with Beta-Glucan


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Dectin-1 in Complex with Beta-Glucan within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1245 b:44.0 occ:1.00 O A:HOH2001 2.0 37.4 1.0 O A:LYS156 2.1 35.9 1.0 O A:HOH2005 2.2 37.4 1.0 OE1 A:GLU162 2.3 31.1 1.0 OD2 A:ASP158 2.5 44.5 1.0 OE1 A:GLU241 2.7 36.0 1.0 OE2 A:GLU162 2.7 29.8 1.0 OE2 A:GLU241 2.8 42.4 1.0 CD A:GLU162 2.9 31.1 1.0 CD A:GLU241 3.1 40.2 1.0 C A:LYS156 3.2 35.3 1.0 CG A:ASP158 3.6 43.4 1.0 CA A:LYS156 4.0 35.0 1.0 CB A:LYS156 4.0 35.1 1.0 N A:ASP158 4.1 39.5 1.0 N A:LYS156 4.2 34.5 1.0 N A:ILE157 4.2 35.4 1.0 OD1 A:ASP158 4.3 47.3 1.0 CA A:ILE157 4.3 36.2 1.0 OH A:TYR131 4.3 36.3 1.0 CG A:GLU162 4.4 33.4 1.0 CG A:LYS156 4.4 36.4 1.0 C A:ILE157 4.6 37.8 1.0 CG A:GLU241 4.6 39.9 1.0 CB A:ASP158 4.7 41.7 1.0 OG A:SER129 4.9 43.1 1.0 CD1 A:LEU155 4.9 31.9 1.0 OE2 A:GLU243 4.9 56.6 1.0 CE2 A:TYR131 5.0 33.8 1.0

Calcium binding site 2 out of 2 in the Dectin-1 in Complex with Beta-Glucan


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Dectin-1 in Complex with Beta-Glucan within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1245 b:41.8 occ:1.00 OE1 B:GLU162 2.2 35.3 1.0 O B:HOH2001 2.2 26.4 1.0 O B:LYS156 2.2 33.9 1.0 OD2 B:ASP158 2.4 48.7 1.0 OE1 B:GLU241 2.5 41.6 1.0 OE2 B:GLU162 2.6 29.6 1.0 CD B:GLU162 2.7 33.4 1.0 OE2 B:GLU241 2.8 44.2 1.0 CD B:GLU241 3.0 41.7 1.0 C B:LYS156 3.5 34.2 1.0 CG B:ASP158 3.6 45.4 1.0 N B:ASP158 4.2 39.8 1.0 OH B:TYR131 4.2 34.5 1.0 CG B:GLU162 4.3 34.6 1.0 CG B:LYS156 4.3 35.8 1.0 OD1 B:ASP158 4.3 50.0 1.0 CA B:LYS156 4.4 33.6 1.0 N B:ILE157 4.4 34.4 1.0 CA B:ILE157 4.4 35.9 1.0 N B:LYS156 4.4 33.4 1.0 CB B:LYS156 4.5 33.7 1.0 CG B:GLU241 4.6 40.1 1.0 OG B:SER129 4.6 43.2 1.0 CB B:ASP158 4.7 41.7 1.0 C B:ILE157 4.8 37.8 1.0 CD1 B:LEU155 4.8 31.5 1.0 OE2 B:GLU243 4.9 55.1 1.0

J.Brown, C.A.O'callaghan, A.S.J.Marshall, R.J.C.Gilbert, C.Siebold, S.Gordon, G.D.Brown, E.Y.Jones. Structure of the Fungal Beta-Glucan-Binding Immune Receptor Dectin-1: Implications For Function. Protein Sci. V. 16 1042 2007.
ISSN: ISSN 0961-8368
PubMed: 17473009
DOI: 10.1110/PS.072791207