Sodium in PDB 6awr: Structure of Pr 10 Allergen Ara H 8.01 in Complex with Ans

The structure of Structure of Pr 10 Allergen Ara H 8.01 in Complex with Ans, PDB code: 6awr 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)	43.65 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	41.041, 87.291, 42.850, 90.00, 96.69, 90.00
R / Rfree (%)	16.7 / 20.8

The binding sites of Sodium atom in the Structure of Pr 10 Allergen Ara H 8.01 in Complex with Ans (pdb code 6awr). 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 Ans, PDB code: 6awr:
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 Ans


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 Ans within 5.0Å range: probe atom residue distance (Å) B Occ A:Na202 b:23.8 occ:1.00 O A:PRO31 2.3 21.3 1.0 O A:VAL37 2.4 18.4 1.0 O A:HOH439 2.4 28.5 1.0 O A:HOH448 2.4 27.2 1.0 O A:ILE34 2.5 22.5 1.0 O A:ASP35 2.8 25.8 1.0 NA A:NA204 3.3 31.2 1.0 C A:ASP35 3.4 26.0 1.0 C A:PRO31 3.4 20.5 1.0 C A:ILE34 3.5 22.8 1.0 C A:VAL37 3.5 17.9 1.0 CA A:ASP35 3.6 25.9 1.0 CA A:PRO31 3.8 20.6 1.0 N A:ASP35 4.0 24.3 1.0 N A:VAL37 4.0 18.6 1.0 O A:HOH335 4.2 27.8 1.0 CA A:VAL37 4.3 18.1 1.0 N A:ASP36 4.3 25.9 1.0 O B:HOH426 4.4 39.5 1.0 N A:LYS38 4.4 18.3 1.0 CD A:LYS38 4.5 24.0 1.0 CB A:PRO31 4.5 20.6 1.0 NZ A:LYS38 4.5 27.5 1.0 CA A:LYS38 4.5 19.0 1.0 N A:LYS32 4.6 19.9 1.0 O A:THR30 4.7 20.3 1.0 C A:ASP36 4.7 25.4 1.0 CA A:ILE34 4.7 22.0 1.0 N A:ILE34 4.7 21.0 1.0 CB A:VAL37 4.7 18.9 1.0 C A:LYS32 4.8 20.4 1.0 O A:LYS32 4.8 20.9 1.0 O A:HOH362 4.8 30.2 1.0 O A:HOH395 4.9 30.6 1.0 CA A:ASP36 5.0 27.1 1.0 CA A:LYS32 5.0 20.1 1.0

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


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 Ans within 5.0Å range: probe atom residue distance (Å) B Occ A:Na204 b:31.2 occ:1.00 O A:HOH395 2.3 30.6 1.0 O A:HOH486 2.4 38.7 1.0 O A:HOH439 2.4 28.5 1.0 O A:HOH448 2.5 27.2 1.0 O A:HOH377 2.5 25.9 1.0 O A:PRO31 2.6 21.3 1.0 NA A:NA202 3.3 23.8 1.0 C A:PRO31 3.6 20.5 1.0 O B:HOH401 3.8 35.2 1.0 CA A:LYS32 3.9 20.1 1.0 O A:LYS32 4.0 20.9 1.0 O A:HOH484 4.1 41.2 1.0 N A:LYS32 4.1 19.9 1.0 C A:LYS32 4.2 20.4 1.0 O A:HOH362 4.3 30.2 1.0 O A:HOH335 4.3 27.8 1.0 O1 A:SO4203 4.4 35.4 0.8 O B:HOH426 4.4 39.5 1.0 O A:HOH315 4.6 30.8 1.0 O A:HOH460 4.7 46.0 1.0 O A:HOH414 4.7 34.5 1.0 CA A:PRO31 4.8 20.6 1.0 CB A:PRO31 5.0 20.6 1.0 O A:VAL37 5.0 18.4 1.0

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


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 Ans within 5.0Å range: probe atom residue distance (Å) B Occ B:Na202 b:21.9 occ:1.00 O B:PRO31 2.3 21.7 1.0 O A:HOH346 2.4 26.8 1.0 O B:VAL37 2.4 17.6 1.0 O B:ILE34 2.4 18.1 1.0 O A:HOH435 2.5 24.9 1.0 O B:ASP35 2.7 19.0 1.0 C B:ASP35 3.3 18.9 1.0 C B:PRO31 3.4 20.3 1.0 C B:ILE34 3.4 18.0 1.0 C B:VAL37 3.5 17.4 1.0 CA B:ASP35 3.6 18.5 1.0 CA B:PRO31 3.9 20.1 1.0 N B:ASP35 3.9 18.0 1.0 O A:HOH315 3.9 30.8 1.0 N B:VAL37 4.0 17.6 1.0 O2 A:SO4203 4.2 39.0 0.8 CA B:VAL37 4.3 17.5 1.0 N B:ASP36 4.3 18.5 1.0 N B:LYS38 4.4 17.1 1.0 N B:LYS32 4.5 21.0 1.0 CD B:LYS38 4.5 20.6 1.0 CB B:PRO31 4.5 20.4 1.0 CA B:LYS38 4.6 18.4 1.0 O B:HOH367 4.6 26.9 1.0 O B:HOH325 4.6 24.9 1.0 O B:HOH440 4.6 37.5 1.0 C B:ASP36 4.6 18.1 1.0 N B:ILE34 4.6 20.0 1.0 CA B:ILE34 4.7 19.8 1.0 NZ B:LYS38 4.7 22.7 1.0 CB B:VAL37 4.7 17.9 1.0 C B:LYS32 4.8 23.2 1.0 O B:THR30 4.8 19.8 1.0 CA B:LYS32 4.9 22.7 1.0 O B:LYS32 4.9 25.6 1.0 CA B:ASP36 4.9 19.3 1.0 OD1 B:ASP35 5.0 25.0 1.0 CB B:ASP35 5.0 20.0 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.