Chlorine in PDB 5hcf: T. Cruzi Calreticulin Globular Domain

The structure of T. Cruzi Calreticulin Globular Domain, PDB code: 5hcf 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)	47.70 / 2.45
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	79.300, 79.380, 85.080, 95.57, 98.69, 119.86
R / Rfree (%)	22.3 / 25.7

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

Chlorine binding site 1 out of 2 in the T. Cruzi Calreticulin Globular Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of T. Cruzi Calreticulin Globular Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:73.8 occ:1.00 CZ A:ARG141 3.3 34.4 1.0 CG1 A:ILE145 3.3 32.3 1.0 NH2 A:ARG141 3.3 32.5 1.0 ND1 A:HIS143 3.4 34.5 1.0 NH1 A:ARG141 3.4 35.3 1.0 N A:ILE144 3.4 32.1 1.0 N A:TRP155 3.6 29.8 1.0 CA A:HIS143 3.6 31.6 1.0 NE A:ARG141 3.8 35.1 1.0 CD1 A:ILE145 3.9 32.1 1.0 CB A:GLU154 4.0 41.2 1.0 CA A:GLU154 4.0 37.0 1.0 C A:HIS143 4.0 32.5 1.0 CB A:HIS143 4.1 31.2 1.0 O A:ILE144 4.1 35.9 1.0 C A:ILE144 4.1 33.1 1.0 CB A:TRP155 4.1 30.4 1.0 CG A:HIS143 4.1 32.3 1.0 C A:GLU154 4.3 34.3 1.0 CG A:GLU154 4.3 44.5 1.0 CE1 A:HIS143 4.4 34.9 1.0 CA A:TRP155 4.4 32.6 1.0 CA A:ILE144 4.4 31.1 1.0 N A:ILE145 4.5 30.7 1.0 O A:VAL142 4.5 30.7 1.0 O A:TRP155 4.5 32.9 1.0 CD A:ARG141 4.5 33.6 1.0 CB A:ILE145 4.6 31.4 1.0 N A:HIS143 4.7 33.8 1.0 CA A:ILE145 4.8 31.4 1.0 CD A:GLU154 4.8 49.0 1.0 OE1 A:GLU154 4.9 50.2 1.0 C A:TRP155 4.9 34.3 1.0

Chlorine binding site 2 out of 2 in the T. Cruzi Calreticulin Globular Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of T. Cruzi Calreticulin Globular Domain within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl402 b:81.8 occ:1.00 N C:TRP155 3.3 30.2 1.0 NH2 C:ARG141 3.3 39.2 1.0 CZ C:ARG141 3.3 40.5 1.0 CG1 C:ILE145 3.4 34.1 1.0 NH1 C:ARG141 3.5 41.0 1.0 N C:ILE144 3.5 31.9 1.0 ND1 C:HIS143 3.5 33.8 1.0 CB C:GLU154 3.7 36.2 1.0 CA C:GLU154 3.8 33.3 1.0 CA C:HIS143 3.8 27.6 1.0 CB C:TRP155 3.9 30.5 1.0 C C:GLU154 4.0 32.2 1.0 NE C:ARG141 4.0 40.7 1.0 O C:ILE144 4.0 39.8 1.0 C C:ILE144 4.0 37.7 1.0 CD1 C:ILE145 4.1 33.9 1.0 CG C:GLU154 4.1 39.9 1.0 CA C:TRP155 4.1 31.1 1.0 C C:HIS143 4.2 27.3 1.0 O C:TRP155 4.2 29.9 1.0 CB C:HIS143 4.2 28.5 1.0 CG C:HIS143 4.3 31.1 1.0 N C:ILE145 4.4 36.2 1.0 CA C:ILE144 4.4 36.1 1.0 CE1 C:HIS143 4.5 35.6 1.0 CB C:ILE145 4.6 33.4 1.0 CA C:ILE145 4.6 34.6 1.0 C C:TRP155 4.7 31.1 1.0 CD C:GLU154 4.7 45.6 1.0 O C:VAL142 4.7 30.1 1.0 CD C:ARG141 4.7 40.1 1.0 OE1 C:GLU154 4.8 46.9 1.0 O C:HOH512 5.0 38.5 1.0 N C:HIS143 5.0 29.8 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