Sodium 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:

Chlorine

(Cl)

1 atom

The binding sites of Sodium 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 Sodium atom.
In total 2 binding sites of Sodium where determined in the Structure of Pr 10 Allergen Ara H 8.01 in Complex with Caffeic Acid, PDB code: 6awu:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 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 Sodium with other atoms in the Na 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:Na203 b:64.6 occ:1.00 O B:PRO31 2.4 56.4 1.0 O B:VAL37 2.6 54.2 1.0 O B:ILE34 2.9 56.2 1.0 O B:ASP35 3.0 67.5 1.0 C B:PRO31 3.6 55.0 1.0 C B:ASP35 3.6 69.0 1.0 CA B:ASP35 3.7 71.2 1.0 C B:VAL37 3.8 53.9 1.0 C B:ILE34 3.9 56.8 1.0 NZ B:LYS38 4.3 70.8 1.0 CD B:LYS38 4.3 65.7 1.0 N B:ASP35 4.3 62.4 1.0 O B:LYS32 4.3 64.4 1.0 CA B:PRO31 4.4 52.7 1.0 C B:LYS32 4.6 60.7 1.0 N B:LYS32 4.6 56.1 1.0 N B:VAL37 4.7 56.5 1.0 N B:LYS38 4.7 53.9 1.0 OD1 B:ASP35 4.7 92.6 1.0 CA B:LYS38 4.7 57.1 1.0 CA B:VAL37 4.8 52.0 1.0 CA B:LYS32 4.8 60.2 1.0 N B:ASP36 4.8 70.4 1.0 CE B:LYS38 4.9 69.7 1.0 CB B:ASP35 4.9 79.1 1.0

Sodium binding site 2 out of 2 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 Sodium with other atoms in the Na binding site number 2 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 C:Na203 b:66.6 occ:1.00 O C:PRO31 2.2 67.0 1.0 O C:VAL37 2.4 65.0 1.0 O C:ILE34 2.7 76.7 1.0 O C:ASP35 3.1 66.9 1.0 C C:PRO31 3.4 66.5 1.0 C C:VAL37 3.6 61.0 1.0 C C:ASP35 3.7 69.5 1.0 CA C:ASP35 3.9 77.2 1.0 C C:ILE34 3.9 72.0 1.0 CA C:PRO31 4.1 64.2 1.0 CD C:LYS38 4.2 72.8 1.0 NZ C:LYS38 4.3 77.2 1.0 N C:ASP35 4.4 73.9 1.0 N C:LYS32 4.4 72.4 1.0 N C:LYS38 4.4 61.1 1.0 N C:VAL37 4.5 62.6 1.0 O C:LYS32 4.5 74.9 1.0 CA C:LYS38 4.5 65.8 1.0 CA C:VAL37 4.5 59.0 1.0 C C:LYS32 4.6 75.3 1.0 CA C:LYS32 4.7 76.9 1.0 N C:ASP36 4.8 67.8 1.0 CB C:PRO31 4.9 64.9 1.0 CE C:LYS38 4.9 75.9 1.0 C C:ASP36 4.9 64.8 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.