Chlorine in PDB 7p20: High Resolution Structure of the Juniperus Ashei Allergen - Jun A 3

The structure of High Resolution Structure of the Juniperus Ashei Allergen - Jun A 3, PDB code: 7p20 was solved by M.Eder, G.Hofer, W.Keller, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.34 / 1.40
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	52.424, 49.317, 71.447, 90, 104.89, 90
R / Rfree (%)	13.5 / 16.4

The binding sites of Chlorine atom in the High Resolution Structure of the Juniperus Ashei Allergen - Jun A 3 (pdb code 7p20). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the High Resolution Structure of the Juniperus Ashei Allergen - Jun A 3, PDB code: 7p20:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the High Resolution Structure of the Juniperus Ashei Allergen - Jun A 3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of High Resolution Structure of the Juniperus Ashei Allergen - Jun A 3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:38.5 occ:1.00 N A:HIS226 3.1 20.7 1.0 O A:HOH430 3.4 49.5 1.0 OE1 A:GLN34 3.4 21.7 1.0 CA A:PRO225 3.6 14.6 1.0 C A:PRO225 3.9 17.6 1.0 CB A:PRO225 3.9 15.0 1.0 CB A:HIS226 3.9 29.3 1.0 CD2 A:HIS226 3.9 35.4 1.0 CG A:HIS226 3.9 33.6 1.0 CA A:HIS226 4.0 25.3 1.0 NE2 A:GLN34 4.1 19.2 1.0 CD A:GLN34 4.2 19.5 1.0 CG1 A:VAL222 4.2 14.3 1.0 O A:HOH419 4.4 46.6 1.0 O A:HIS226 4.5 27.1 1.0 CB A:VAL222 4.6 12.3 1.0 CG2 A:VAL222 4.7 15.2 1.0 NE2 A:HIS226 4.7 36.5 1.0 C A:HIS226 4.7 27.1 1.0 ND1 A:HIS226 4.8 35.7 1.0 O A:HOH404 4.8 45.5 1.0 N A:PRO225 5.0 12.7 1.0

Chlorine binding site 2 out of 2 in the High Resolution Structure of the Juniperus Ashei Allergen - Jun A 3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of High Resolution Structure of the Juniperus Ashei Allergen - Jun A 3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:43.5 occ:1.00 N A:THR58 3.1 12.1 1.0 NZ A:LYS49 3.6 16.8 1.0 CD1 A:TRP57 3.7 11.0 1.0 CA A:TRP57 3.7 10.1 1.0 C A:TRP57 3.9 10.2 1.0 CA A:THR58 4.1 13.9 1.0 CB A:THR58 4.1 17.9 1.0 O A:THR56 4.1 11.7 1.0 O A:THR58 4.1 17.1 1.0 OG1 A:THR58 4.3 20.6 1.0 CD A:LYS49 4.3 13.9 1.0 O A:HOH600 4.5 47.3 1.0 CG A:TRP57 4.5 11.0 1.0 CE A:LYS49 4.6 15.2 1.0 C A:THR58 4.6 14.3 1.0 NE1 A:TRP57 4.6 11.4 1.0 CB A:TRP57 4.6 11.0 1.0 N A:TRP57 4.6 10.6 1.0 C A:THR56 4.7 11.2 1.0

M.Eder, G.Hofer, W.Keller. Crystal Structure of the Allergen Jun A 3 the Thaumatin-Like Protein of Juniperus Ashei To Be Published.