Sodium in PDB 6aws: Structure of Pr 10 Allergen Ara H 8.01 in Complex with Quercetin

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

Resolution Low / High (Å)	50.00 / 2.35
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	181.568, 52.318, 57.497, 90.00, 94.51, 90.00
R / Rfree (%)	21.8 / 27

The structure of Structure of Pr 10 Allergen Ara H 8.01 in Complex with Quercetin 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 Quercetin (pdb code 6aws). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 3 binding sites of Sodium where determined in the Structure of Pr 10 Allergen Ara H 8.01 in Complex with Quercetin, PDB code: 6aws:
Jump to Sodium binding site number: 1; 2; 3;

Sodium binding site 1 out of 3 in the Structure of Pr 10 Allergen Ara H 8.01 in Complex with Quercetin


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 Quercetin within 5.0Å range: probe atom residue distance (Å) B Occ A:Na201 b:93.8 occ:1.00 O A:HOH311 2.4 85.0 1.0 O A:PRO31 2.4 76.8 1.0 O A:HOH307 2.6 67.2 1.0 O A:ILE34 2.8 84.7 1.0 O A:VAL37 2.9 76.3 1.0 O A:ASP35 3.0 86.5 1.0 C A:PRO31 3.6 77.5 1.0 C A:ASP35 3.7 86.7 1.0 C A:ILE34 3.8 81.8 1.0 CA A:ASP35 3.9 89.5 1.0 C A:VAL37 4.0 75.8 1.0 NZ A:LYS38 4.2 90.9 1.0 N A:ASP35 4.3 82.5 1.0 CA A:PRO31 4.3 75.8 1.0 CD A:LYS38 4.4 87.5 1.0 O A:LYS32 4.4 85.5 1.0 N A:VAL37 4.6 75.3 1.0 N A:LYS32 4.6 81.4 1.0 C A:LYS32 4.7 83.7 1.0 CE A:LYS38 4.8 89.7 1.0 CA A:LYS38 4.8 77.5 1.0 CA A:LYS32 4.8 85.1 1.0 N A:LYS38 4.8 74.8 1.0 N A:ASP36 4.8 82.5 1.0 OD1 A:ASP35 4.9 0.6 1.0 CA A:VAL37 4.9 73.3 1.0

Sodium binding site 2 out of 3 in the Structure of Pr 10 Allergen Ara H 8.01 in Complex with Quercetin


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 Quercetin within 5.0Å range: probe atom residue distance (Å) B Occ B:Na201 b:85.3 occ:1.00 O B:PRO31 2.4 74.1 1.0 O B:VAL37 2.8 71.2 1.0 O B:ASP35 2.9 80.8 1.0 O B:ILE34 3.1 84.4 1.0 C B:PRO31 3.5 74.7 1.0 C B:ASP35 3.7 83.5 1.0 CA B:ASP35 3.8 84.0 1.0 C B:VAL37 3.9 75.6 1.0 C B:ILE34 4.0 84.4 1.0 CA B:PRO31 4.3 72.7 1.0 CD B:LYS38 4.4 92.9 1.0 NZ B:LYS38 4.4 95.6 1.0 N B:ASP35 4.4 81.9 1.0 N B:LYS32 4.6 77.4 1.0 OD1 B:ASP35 4.6 93.9 1.0 O B:LYS32 4.6 85.3 1.0 N B:VAL37 4.6 78.7 1.0 CA B:LYS38 4.7 82.2 1.0 N B:LYS38 4.7 79.4 1.0 CB B:PRO31 4.8 72.5 1.0 CA B:LYS32 4.8 85.0 1.0 N B:ASP36 4.8 85.4 1.0 C B:LYS32 4.8 86.3 1.0 CA B:VAL37 4.8 74.1 1.0 CE B:LYS38 4.9 95.8 1.0

Sodium binding site 3 out of 3 in the Structure of Pr 10 Allergen Ara H 8.01 in Complex with Quercetin


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of Structure of Pr 10 Allergen Ara H 8.01 in Complex with Quercetin within 5.0Å range: probe atom residue distance (Å) B Occ C:Na201 b:91.4 occ:1.00 O C:PRO31 2.4 79.9 1.0 O C:VAL37 2.8 80.2 1.0 O C:ASP35 3.0 88.7 1.0 O C:ILE34 3.0 72.0 1.0 C C:PRO31 3.6 78.7 1.0 C C:ASP35 3.8 80.9 1.0 C C:VAL37 3.9 77.8 1.0 CA C:ASP35 3.9 80.0 1.0 C C:ILE34 4.0 71.2 1.0 CA C:PRO31 4.3 72.8 1.0 NZ C:LYS38 4.3 99.0 1.0 CD C:LYS38 4.4 93.5 1.0 N C:ASP35 4.5 73.6 1.0 CA C:LYS38 4.6 82.4 1.0 N C:LYS32 4.6 83.8 1.0 O C:LYS32 4.6 77.2 1.0 N C:LYS38 4.7 81.2 1.0 N C:VAL37 4.7 71.6 1.0 CB C:PRO31 4.8 74.2 1.0 C C:LYS32 4.8 83.1 1.0 CA C:LYS32 4.8 86.8 1.0 OD1 C:ASP35 4.8 0.8 1.0 CA C:VAL37 4.9 71.2 1.0 CE C:LYS38 4.9 95.6 1.0 N C:ASP36 4.9 77.4 1.0 O A:HOH316 5.0 79.7 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.