Chlorine in PDB 3m86: Crystal Structure of the Cysteine Protease Inhibitor, EHICP2, From Entamoeba Histolytica

The structure of Crystal Structure of the Cysteine Protease Inhibitor, EHICP2, From Entamoeba Histolytica, PDB code: 3m86 was solved by S.Lara-Gonzalez, L.E.Casados-Vazquez, L.G.Brieba, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.32 / 1.65
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.523, 60.122, 61.350, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 21.4

The binding sites of Chlorine atom in the Crystal Structure of the Cysteine Protease Inhibitor, EHICP2, From Entamoeba Histolytica (pdb code 3m86). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the Cysteine Protease Inhibitor, EHICP2, From Entamoeba Histolytica, PDB code: 3m86:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Cysteine Protease Inhibitor, EHICP2, From Entamoeba Histolytica


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Cysteine Protease Inhibitor, EHICP2, From Entamoeba Histolytica within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1 b:10.8 occ:1.00 OG1 A:THR44 3.1 12.7 1.0 O A:HOH153 3.2 26.3 1.0 NH1 A:ARG84 3.2 14.4 1.0 N A:TRP52 3.3 9.0 1.0 CB A:THR44 3.6 9.1 1.0 CA A:ALA51 3.7 14.1 1.0 CG2 A:THR44 3.7 13.1 1.0 CD A:ARG84 3.7 7.9 1.0 CD1 A:TRP52 3.8 12.5 1.0 CB A:ALA51 3.9 14.4 1.0 CB A:ARG84 3.9 8.1 1.0 CG A:ARG84 3.9 8.5 1.0 C A:ALA51 4.0 11.4 1.0 CB A:TRP52 4.2 8.6 1.0 CZ A:ARG84 4.3 18.7 1.0 CA A:TRP52 4.3 9.4 1.0 CG A:TRP52 4.3 7.9 1.0 CD1 A:ILE68 4.4 20.4 1.0 NE A:ARG84 4.4 11.3 1.0 O A:TRP52 4.7 15.6 1.0 NE1 A:TRP52 4.9 9.3 1.0 O A:TYR50 4.9 15.5 1.0 N A:ALA51 5.0 13.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Cysteine Protease Inhibitor, EHICP2, From Entamoeba Histolytica


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Cysteine Protease Inhibitor, EHICP2, From Entamoeba Histolytica within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl2 b:13.4 occ:1.00 NH1 B:ARG84 3.1 14.7 1.0 OG1 B:THR44 3.1 14.5 1.0 O B:HOH142 3.2 25.8 1.0 N B:TRP52 3.3 13.1 1.0 CD B:ARG84 3.6 10.3 1.0 CB B:THR44 3.7 12.0 1.0 CD1 B:TRP52 3.8 11.9 1.0 CA B:ALA51 3.8 14.0 1.0 CB B:ARG84 3.8 10.0 1.0 CG B:ARG84 3.8 11.1 1.0 CG2 B:THR44 3.9 14.2 1.0 CB B:ALA51 3.9 16.3 1.0 C B:ALA51 4.0 13.0 1.0 CB B:TRP52 4.1 9.8 1.0 CZ B:ARG84 4.2 19.1 1.0 CA B:TRP52 4.3 11.4 1.0 CG B:TRP52 4.3 9.7 1.0 NE B:ARG84 4.4 11.3 1.0 CG2 B:ILE68 4.4 12.9 0.3 CD1 B:ILE68 4.5 21.0 0.7 O B:TRP52 4.7 18.6 1.0 NE1 B:TRP52 4.9 10.0 1.0 O B:TYR50 4.9 17.0 1.0

L.E.Casados-Vazquez, S.Lara-Gonzalez, L.G.Brieba. Crystal Structure of the Cysteine Protease Inhibitor 2 From Entamoeba Histolytica: Functional Convergence of A Common Protein Fold. Gene V. 471 45 2011.
ISSN: ISSN 0378-1119
PubMed: 20951777
DOI: 10.1016/J.GENE.2010.10.006