Sodium in PDB 4a81: Crystal Structure of Major Birch Pollen Allergen Bet V 1 A in Ternary Complex with 8-Anilinonaphthalene-1-Sulfonate (Ans) and Deoxycholic Acid

The structure of Crystal Structure of Major Birch Pollen Allergen Bet V 1 A in Ternary Complex with 8-Anilinonaphthalene-1-Sulfonate (Ans) and Deoxycholic Acid, PDB code: 4a81 was solved by S.Kofler, H.Brandstetter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.80 / 2.05
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	32.600, 55.820, 37.850, 90.00, 93.04, 90.00
R / Rfree (%)	16.2 / 23

The binding sites of Sodium atom in the Crystal Structure of Major Birch Pollen Allergen Bet V 1 A in Ternary Complex with 8-Anilinonaphthalene-1-Sulfonate (Ans) and Deoxycholic Acid (pdb code 4a81). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Crystal Structure of Major Birch Pollen Allergen Bet V 1 A in Ternary Complex with 8-Anilinonaphthalene-1-Sulfonate (Ans) and Deoxycholic Acid, PDB code: 4a81:

Sodium binding site 1 out of 1 in the Crystal Structure of Major Birch Pollen Allergen Bet V 1 A in Ternary Complex with 8-Anilinonaphthalene-1-Sulfonate (Ans) and Deoxycholic Acid


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of Major Birch Pollen Allergen Bet V 1 A in Ternary Complex with 8-Anilinonaphthalene-1-Sulfonate (Ans) and Deoxycholic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Na1164 b:40.2 occ:1.00 OH A:TYR5 2.3 34.4 1.0 O A:VAL128 2.4 43.2 1.0 CZ A:TYR5 3.4 31.0 1.0 C A:VAL128 3.6 46.7 1.0 CE1 A:TYR5 3.7 30.4 1.0 N A:ALA130 4.3 52.9 1.0 C A:LYS129 4.4 56.8 1.0 N A:LYS129 4.5 49.3 1.0 CA A:VAL128 4.6 42.9 1.0 CE2 A:TYR5 4.6 30.3 1.0 CB A:VAL128 4.6 36.2 1.0 CA A:LYS129 4.6 57.2 1.0 CG1 A:VAL128 4.7 40.2 1.0 N A:VAL128 4.9 40.1 1.0 CA A:ALA130 4.9 57.1 1.0 O A:LYS129 4.9 60.0 1.0

S.Kofler, C.Asam, U.Eckhard, M.Wallner, F.Ferreira, H.Brandstetter. Crystallographically Mapped Ligand Binding Differs in High and Low Ige Binding Isoforms of Birch Pollen Allergen Bet V 1. J.Mol.Biol. V. 422 109 2012.
ISSN: ISSN 0022-2836
PubMed: 22634284
DOI: 10.1016/J.JMB.2012.05.016