Chlorine in PDB 5hca: Globular Domain of the Entamoeba Histolytica Calreticulin in Complex with Glucose

The structure of Globular Domain of the Entamoeba Histolytica Calreticulin in Complex with Glucose, PDB code: 5hca was solved by C.P.Moreau, C.Gaboriaud, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.23 / 2.15
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	74.360, 143.440, 171.590, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 22.1

The structure of Globular Domain of the Entamoeba Histolytica Calreticulin in Complex with Glucose also contains other interesting chemical elements:

Calcium

(Ca)

3 atoms

The binding sites of Chlorine atom in the Globular Domain of the Entamoeba Histolytica Calreticulin in Complex with Glucose (pdb code 5hca). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Globular Domain of the Entamoeba Histolytica Calreticulin in Complex with Glucose, PDB code: 5hca:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Globular Domain of the Entamoeba Histolytica Calreticulin in Complex with Glucose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Globular Domain of the Entamoeba Histolytica Calreticulin in Complex with Glucose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:39.7 occ:1.00 ND1 A:HIS138 3.2 37.6 1.0 O A:HOH558 3.3 57.6 1.0 N A:VAL139 3.3 36.6 1.0 CA A:HIS138 3.6 39.5 1.0 CB A:LEU149 3.6 43.3 1.0 CG A:LEU149 3.7 45.6 1.0 N A:ILE150 3.7 39.0 1.0 CG1 A:ILE140 3.7 33.9 1.0 CA A:LEU149 3.8 41.6 1.0 O A:VAL139 3.9 39.5 1.0 CB A:HIS138 3.9 37.0 1.0 C A:HIS138 4.0 37.7 1.0 CG A:HIS138 4.0 36.7 1.0 C A:VAL139 4.0 39.2 1.0 CG2 A:ILE150 4.0 40.8 1.0 CD2 A:LEU149 4.1 46.2 1.0 C A:LEU149 4.2 40.4 1.0 CE1 A:HIS138 4.3 39.8 1.0 CA A:VAL139 4.3 38.1 1.0 N A:ILE140 4.5 36.2 1.0 CD1 A:ILE140 4.5 32.9 1.0 O A:ILE150 4.6 43.8 1.0 CA A:ILE150 4.7 39.6 1.0 CB A:ILE150 4.7 39.6 1.0 O A:THR137 4.8 41.9 1.0 N A:HIS138 4.8 41.5 1.0 CA A:ILE140 4.8 36.1 1.0 CB A:ILE140 4.9 34.0 1.0

Chlorine binding site 2 out of 2 in the Globular Domain of the Entamoeba Histolytica Calreticulin in Complex with Glucose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Globular Domain of the Entamoeba Histolytica Calreticulin in Complex with Glucose within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl404 b:48.6 occ:1.00 ND1 B:HIS138 3.4 52.1 1.0 N B:VAL139 3.5 40.8 1.0 NH2 B:ARG136 3.5 77.1 1.0 CZ B:ARG136 3.6 78.2 1.0 CA B:HIS138 3.7 42.5 1.0 CG1 B:ILE140 3.7 40.5 1.0 N B:ILE150 3.8 43.6 1.0 CB B:LEU149 3.8 57.0 1.0 CG2 B:ILE150 3.9 40.7 1.0 NE B:ARG136 3.9 74.4 1.0 CA B:LEU149 4.0 48.8 1.0 CG B:LEU149 4.0 61.3 1.0 O B:VAL139 4.0 45.1 1.0 C B:VAL139 4.1 43.4 1.0 CB B:HIS138 4.1 40.0 1.0 C B:HIS138 4.1 42.8 1.0 NH1 B:ARG136 4.2 80.6 1.0 CG B:HIS138 4.2 45.7 1.0 C B:LEU149 4.3 44.8 1.0 CD2 B:LEU149 4.4 64.8 1.0 CA B:VAL139 4.4 39.2 1.0 CD1 B:ILE140 4.5 42.9 1.0 CE1 B:HIS138 4.5 53.7 1.0 O B:HOH524 4.5 55.0 1.0 N B:ILE140 4.6 42.1 1.0 O B:ILE150 4.6 44.9 1.0 CB B:ILE150 4.7 41.8 1.0 CD B:ARG136 4.7 66.7 1.0 CA B:ILE150 4.8 42.1 1.0 O B:THR137 4.8 42.5 1.0 N B:HIS138 4.9 41.6 1.0 CA B:ILE140 4.9 40.5 1.0 CB B:ILE140 4.9 39.8 1.0

C.Moreau, G.Cioci, M.Iannello, E.Laffly, A.Chouquet, A.Ferreira, N.M.Thielens, C.Gaboriaud. Structures of Parasite Calreticulins Provide Insights Into Their Flexibility and Dual Carbohydrate/Peptide-Binding Properties. Iucrj V. 3 408 2016.
ISSN: ESSN 2052-2525
PubMed: 27840680
DOI: 10.1107/S2052252516012847