Chlorine 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:

Calcium

(Ca)

2 atoms

The binding sites of Chlorine atom in the Dectin-1 in Complex with Beta-Glucan (pdb code 2cl8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Dectin-1 in Complex with Beta-Glucan, PDB code: 2cl8:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Dectin-1 in Complex with Beta-Glucan


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Dectin-1 in Complex with Beta-Glucan within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1246 b:84.5 occ:1.00 N A:LEU154 3.4 36.1 1.0 CE A:LYS144 3.5 39.8 1.0 CG A:LYS144 3.5 36.0 1.0 CD A:LYS144 3.6 38.6 1.0 CB A:GLU194 3.7 37.8 1.0 CB A:HIS153 3.8 39.2 1.0 CB A:LEU154 4.0 34.4 1.0 CA A:HIS153 4.1 38.6 1.0 C A:HIS153 4.2 37.7 1.0 CA A:LEU154 4.3 34.7 1.0 CG A:LEU154 4.3 32.4 1.0 O6 A:BGC1248 4.4 0.6 0.9 CG A:GLU194 4.4 41.1 1.0 CB A:LYS144 4.6 35.4 1.0 CD1 A:LEU154 4.6 29.8 1.0 CA A:GLU194 4.9 37.4 1.0 O B:GLU194 4.9 37.4 1.0 CA A:LYS144 4.9 36.0 1.0 NZ A:LYS144 4.9 43.7 1.0 OE2 A:GLU194 4.9 49.9 1.0 CG A:HIS153 5.0 39.5 1.0 O A:LEU154 5.0 33.1 1.0

Chlorine binding site 2 out of 4 in the Dectin-1 in Complex with Beta-Glucan


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Dectin-1 in Complex with Beta-Glucan within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1246 b:36.1 occ:1.00 NH2 B:ARG207 3.1 47.6 1.0 N B:GLN205 3.3 38.4 1.0 CA B:PHE204 3.7 36.7 1.0 NE B:ARG207 3.9 50.0 1.0 CZ B:ARG207 3.9 48.8 1.0 CB B:PHE204 3.9 35.7 1.0 O B:GLN205 4.0 40.2 1.0 C B:PHE204 4.0 37.5 1.0 CA B:GLN205 4.3 39.1 1.0 CB B:GLN205 4.4 38.7 1.0 CL B:CL1248 4.5 63.5 1.0 C B:GLN205 4.6 40.3 1.0

Chlorine binding site 3 out of 4 in the Dectin-1 in Complex with Beta-Glucan


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Dectin-1 in Complex with Beta-Glucan within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1247 b:86.9 occ:1.00 N B:LEU154 3.1 35.2 1.0 CG B:LYS144 3.3 36.5 1.0 CE B:LYS144 3.4 40.9 1.0 CB B:HIS153 3.8 37.5 1.0 CA B:HIS153 3.8 37.5 1.0 CD B:LYS144 3.8 38.9 1.0 CB B:LEU154 3.8 33.0 1.0 CB B:GLU194 3.9 37.1 1.0 C B:HIS153 3.9 36.9 1.0 CG B:LEU154 4.0 32.1 1.0 CA B:LEU154 4.0 33.4 1.0 CD1 B:LEU154 4.2 31.8 1.0 CB B:LYS144 4.4 36.6 1.0 O B:LYS144 4.5 39.0 1.0 CA B:LYS144 4.5 37.7 1.0 CG B:GLU194 4.7 41.3 1.0 NZ B:LYS144 4.8 47.4 1.0 O B:LEU154 4.9 32.5 1.0 C B:LYS144 4.9 38.8 1.0 C B:LEU154 5.0 33.0 1.0

Chlorine binding site 4 out of 4 in the Dectin-1 in Complex with Beta-Glucan


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Dectin-1 in Complex with Beta-Glucan within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1248 b:63.5 occ:1.00 CG B:GLU226 3.2 48.9 1.0 NH2 B:ARG207 3.2 47.6 1.0 O B:SER225 3.4 44.1 1.0 CZ B:ARG207 3.6 48.8 1.0 NH1 B:ARG207 3.7 48.2 1.0 CB B:GLU226 3.9 45.1 1.0 CA B:GLU226 3.9 44.3 1.0 C B:SER225 4.1 43.6 1.0 CD B:GLU226 4.4 56.9 1.0 N B:GLU226 4.4 43.7 1.0 CL B:CL1246 4.5 36.1 1.0 OE1 B:GLU226 4.5 56.4 1.0 NE B:ARG207 4.6 50.0 1.0 CB B:SER225 4.8 43.9 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