Chlorine in PDB 2bpe: Structure of Murine Dectin-1

The structure of Structure of Murine Dectin-1, PDB code: 2bpe 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)	73.32 / 2.25
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	84.685, 84.685, 117.686, 90.00, 90.00, 120.00
R / Rfree (%)	18.8 / 23.1

The structure of Structure of Murine Dectin-1 also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

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

Chlorine binding site 1 out of 4 in the Structure of Murine Dectin-1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Murine Dectin-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1246 b:39.4 occ:1.00 O A:HOH2029 2.8 42.8 1.0 O A:HOH2075 3.0 54.8 1.0 N A:LEU154 3.2 31.2 1.0 CE A:LYS144 3.4 37.9 1.0 CB A:GLU194 3.5 33.4 1.0 CG A:LYS144 3.6 35.6 1.0 CB A:LEU154 3.8 31.7 1.0 CB A:HIS153 3.8 30.1 1.0 CA A:HIS153 3.9 31.6 1.0 CG A:GLU194 4.0 35.0 1.0 C A:HIS153 4.1 31.9 1.0 CA A:LEU154 4.1 32.0 1.0 CG A:LEU154 4.1 30.1 1.0 CD A:LYS144 4.1 35.6 1.0 O B:HOH2027 4.3 47.5 1.0 OE2 A:GLU194 4.3 38.9 1.0 CD1 A:LEU154 4.4 29.9 1.0 CB A:LYS144 4.5 34.7 1.0 O A:LEU154 4.6 33.2 1.0 NZ A:LYS144 4.6 43.5 1.0 CD A:GLU194 4.7 37.1 1.0 CA A:LYS144 4.7 34.8 1.0 C A:LEU154 4.9 32.5 1.0 O A:LYS144 4.9 34.5 1.0 CA A:GLU194 4.9 32.7 1.0

Chlorine binding site 2 out of 4 in the Structure of Murine Dectin-1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Murine Dectin-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1247 b:51.4 occ:1.00 OG A:SER203 2.8 37.0 1.0 O A:HOH2041 3.1 46.8 1.0 OD1 A:ASN202 3.2 34.0 0.5 CA A:ASN159 3.4 36.3 1.0 N A:ASN159 3.5 36.1 1.0 CB A:ASN202 3.5 32.0 0.5 CB A:ASN202 3.5 31.9 0.5 C A:ASN159 3.5 36.3 1.0 CB A:SER203 3.7 31.7 1.0 CG A:ASN202 3.8 32.6 0.5 C A:ASP158 3.8 36.1 1.0 O A:ASN159 3.8 36.5 1.0 N A:SER203 3.9 30.6 1.0 O A:ASP158 4.0 37.1 1.0 N A:SER160 4.0 36.2 1.0 O A:HOH2078 4.1 31.2 1.0 CG2 A:ILE157 4.2 33.7 1.0 C A:ASN202 4.3 31.0 1.0 CA A:SER203 4.4 31.8 1.0 CA A:ASN202 4.4 31.8 1.0 ND2 A:ASN202 4.4 34.2 0.5 O A:ILE157 4.5 35.5 1.0 CG A:ASN202 4.6 31.8 0.5 O A:HOH2044 4.6 65.8 1.0 CA A:ASP158 4.7 35.6 1.0 C A:ILE157 4.7 35.1 1.0 N A:ASP158 4.7 35.2 1.0 CA A:SER160 4.8 36.4 1.0 N A:ASN202 4.9 32.2 1.0 O A:HOH2050 4.9 49.4 1.0 CB A:ASN159 4.9 36.7 1.0 O A:HOH2040 5.0 66.4 1.0

Chlorine binding site 3 out of 4 in the Structure of Murine Dectin-1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Murine Dectin-1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1246 b:27.6 occ:1.00 N B:GLN205 3.2 31.2 1.0 NH2 B:ARG207 3.3 38.7 1.0 NE B:ARG207 3.5 36.6 1.0 O B:HOH2076 3.6 28.8 1.0 CA B:PHE204 3.7 31.5 1.0 CZ B:ARG207 3.8 37.0 1.0 O B:GLN205 4.0 31.6 1.0 C B:PHE204 4.0 31.2 1.0 CB B:PHE204 4.0 31.5 1.0 CA B:GLN205 4.2 30.9 1.0 CB B:GLN205 4.4 30.7 1.0 C B:GLN205 4.6 31.4 1.0 CD B:ARG207 4.7 37.5 1.0 N B:PHE204 5.0 31.3 1.0 O B:SER203 5.0 31.8 1.0

Chlorine binding site 4 out of 4 in the Structure of Murine Dectin-1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Murine Dectin-1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1247 b:37.9 occ:1.00 O B:HOH2028 2.8 45.7 1.0 N B:LEU154 3.2 31.2 1.0 O B:HOH2066 3.4 57.3 1.0 CB B:GLU194 3.5 33.6 1.0 CG B:LYS144 3.6 36.8 1.0 CE B:LYS144 3.6 39.2 1.0 CB B:HIS153 3.8 29.9 1.0 CB B:LEU154 3.9 31.7 1.0 CA B:HIS153 3.9 31.2 1.0 C B:HIS153 4.0 31.6 1.0 CG B:GLU194 4.1 37.0 1.0 CA B:LEU154 4.1 31.5 1.0 CG B:LEU154 4.1 29.5 1.0 CD B:LYS144 4.2 36.8 1.0 NZ B:LYS144 4.3 42.1 1.0 OE1 B:GLU194 4.3 41.2 1.0 O B:HOH2027 4.4 47.5 1.0 CD1 B:LEU154 4.4 30.7 1.0 CB B:LYS144 4.5 35.3 1.0 CD B:GLU194 4.7 39.4 1.0 CA B:LYS144 4.7 35.6 1.0 O B:LEU154 4.7 32.9 1.0 CA B:GLU194 4.9 33.6 1.0 C B:LEU154 4.9 32.4 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