Chlorine in PDB 6awu: Structure of Pr 10 Allergen Ara H 8.01 in Complex with Caffeic Acid

The structure of Structure of Pr 10 Allergen Ara H 8.01 in Complex with Caffeic Acid, PDB code: 6awu was solved by L.R.Offermann, J.Mcbride, M.Perdue, B.K.Hurlburt, S.J.Maleki, S.S.Pote, M.Chruszcz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 3.05
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.919, 60.798, 186.268, 90.00, 90.00, 90.00
R / Rfree (%)	20.9 / 25.9

The structure of Structure of Pr 10 Allergen Ara H 8.01 in Complex with Caffeic Acid also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the Structure of Pr 10 Allergen Ara H 8.01 in Complex with Caffeic Acid (pdb code 6awu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Structure of Pr 10 Allergen Ara H 8.01 in Complex with Caffeic Acid, PDB code: 6awu:

Chlorine binding site 1 out of 1 in the Structure of Pr 10 Allergen Ara H 8.01 in Complex with Caffeic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Pr 10 Allergen Ara H 8.01 in Complex with Caffeic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl204 b:46.5 occ:1.00 NE2 B:HIS68 3.2 54.2 1.0 CD B:LYS138 3.4 75.9 1.0 CE1 B:HIS68 3.9 55.3 1.0 CG2 B:VAL84 3.9 44.0 1.0 CE B:LYS138 4.1 90.9 1.0 C2' B:DHC201 4.2 62.0 1.0 C3 B:DHC201 4.3 62.1 1.0 CD2 B:HIS68 4.3 54.5 1.0 CE1 B:TYR82 4.5 38.1 1.0 C1' B:DHC201 4.5 61.7 1.0 CG B:LYS138 4.5 69.0 1.0 OH B:TYR82 4.5 41.1 1.0 CB B:LYS138 4.6 62.8 1.0 CG2 B:ILE66 4.6 48.9 1.0 CD1 B:ILE66 4.6 49.3 1.0 CB B:ALA89 4.7 61.5 1.0 C2 B:DHC201 4.9 69.2 1.0 CZ B:TYR82 5.0 38.9 1.0

L.R.Offermann, J.Yarbrough, J.Mcbride, B.K.Hurlburt, S.J.Maleki, S.S.Pote, M.Chruszcz. Structure of Pr-10 Allergen Ara H 8.01. To Be Published.