Chlorine in PDB 5dvh: Structure of the Kunitz-Type Cysteine Protease Inhibitor Pcpi-3 From Potato

The structure of Structure of the Kunitz-Type Cysteine Protease Inhibitor Pcpi-3 From Potato, PDB code: 5dvh was solved by J.Brynda, M.Mishra, M.Mares, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.37 / 1.80
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	76.637, 76.637, 107.306, 90.00, 90.00, 90.00
R / Rfree (%)	19.7 / 22.3

The binding sites of Chlorine atom in the Structure of the Kunitz-Type Cysteine Protease Inhibitor Pcpi-3 From Potato (pdb code 5dvh). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Structure of the Kunitz-Type Cysteine Protease Inhibitor Pcpi-3 From Potato, PDB code: 5dvh:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Structure of the Kunitz-Type Cysteine Protease Inhibitor Pcpi-3 From Potato


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Kunitz-Type Cysteine Protease Inhibitor Pcpi-3 From Potato within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:23.1 occ:1.00 N A:GLY68 3.0 24.5 1.0 CA A:GLY68 3.7 27.4 1.0 CD1 A:LEU67 3.9 24.3 1.0 C A:LEU67 4.1 25.6 1.0 CA A:LEU67 4.2 24.7 1.0 CG A:LEU67 4.3 27.0 1.0 C A:GLY68 4.4 30.0 1.0 N A:SER69 4.5 29.0 1.0 CB A:LEU67 4.8 26.0 1.0 O A:LYS66 4.9 24.7 1.0

Chlorine binding site 2 out of 3 in the Structure of the Kunitz-Type Cysteine Protease Inhibitor Pcpi-3 From Potato


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the Kunitz-Type Cysteine Protease Inhibitor Pcpi-3 From Potato within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:33.6 occ:1.00 O A:HOH447 3.1 41.4 1.0 N A:MET65 3.2 27.3 1.0 O A:HOH376 3.3 33.2 1.0 N A:THR64 3.4 20.1 1.0 CA A:TYR63 3.7 19.0 1.0 CA A:MET65 3.7 32.0 1.0 CD1 A:TYR63 3.7 23.5 1.0 CD1 A:ILE16 3.8 33.3 1.0 CB A:TYR63 3.9 20.6 1.0 CG A:MET65 3.9 40.1 1.0 C A:TYR63 4.0 21.5 1.0 CB A:ILE16 4.1 26.2 1.0 CG1 A:ILE16 4.2 29.3 1.0 C A:THR64 4.2 24.2 1.0 CG A:TYR63 4.3 22.0 1.0 CA A:THR64 4.4 23.1 1.0 CG2 A:ILE16 4.4 25.7 1.0 OG1 A:THR64 4.5 26.4 1.0 CB A:MET65 4.5 36.5 1.0 CE1 A:TYR63 4.8 24.4 1.0 O A:PHE62 4.9 20.6 1.0 C A:MET65 5.0 30.3 1.0 N A:TYR63 5.0 20.6 1.0

Chlorine binding site 3 out of 3 in the Structure of the Kunitz-Type Cysteine Protease Inhibitor Pcpi-3 From Potato


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of the Kunitz-Type Cysteine Protease Inhibitor Pcpi-3 From Potato within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:32.3 occ:1.00 O A:HOH350 3.2 25.1 1.0 N A:TYR102 3.3 21.0 1.0 O A:HOH383 3.3 35.8 1.0 CA A:ALA101 3.7 18.8 1.0 CD2 A:TYR102 3.8 22.3 1.0 CB A:TYR102 4.0 20.7 1.0 C A:ALA101 4.0 19.0 1.0 CA A:TYR102 4.2 19.6 1.0 CB A:ALA101 4.3 20.2 1.0 CG A:TYR102 4.4 20.9 1.0 O A:HOH392 4.6 21.7 0.5 O A:VAL100 4.7 17.6 1.0 CE2 A:TYR102 4.9 22.1 1.0 O A:TYR102 4.9 21.0 1.0 N A:ALA101 4.9 18.2 1.0

J.Brynda, M.Mishra, M.Mares. Structure of the Kunitz-Type Cysteine Protease Inhibitor Pcpi-3 From Potato To Be Published.