Sodium in PDB 4aw8: X-Ray Structure of Zint From Salmonella Enterica in Complex with Zinc Ion and Peg

The structure of X-Ray Structure of Zint From Salmonella Enterica in Complex with Zinc Ion and Peg, PDB code: 4aw8 was solved by F.Alaleona, A.Ilari, A.Battistoni, P.Petrarca, E.Chiancone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.70 / 2.00
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	58.540, 58.540, 290.370, 90.00, 90.00, 120.00
R / Rfree (%)	21.2 / 25.7

The structure of X-Ray Structure of Zint From Salmonella Enterica in Complex with Zinc Ion and Peg also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Sodium atom in the X-Ray Structure of Zint From Salmonella Enterica in Complex with Zinc Ion and Peg (pdb code 4aw8). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the X-Ray Structure of Zint From Salmonella Enterica in Complex with Zinc Ion and Peg, PDB code: 4aw8:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the X-Ray Structure of Zint From Salmonella Enterica in Complex with Zinc Ion and Peg


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of X-Ray Structure of Zint From Salmonella Enterica in Complex with Zinc Ion and Peg within 5.0Å range: probe atom residue distance (Å) B Occ A:Na1201 b:51.3 occ:1.00 OD1 A:ASP23 2.4 19.2 0.5 CG A:ASP23 3.5 20.4 0.5 O A:HOH2024 3.5 25.1 1.0 N A:ALA25 3.7 18.2 1.0 OD2 A:ASP23 4.0 22.7 0.5 CB A:ALA25 4.0 18.0 1.0 N A:ASP24 4.1 19.9 1.0 CB A:ASP24 4.2 19.6 1.0 CA A:ALA25 4.4 17.6 1.0 CA A:ASP24 4.5 19.7 1.0 C A:ASP24 4.5 19.1 1.0 CB A:ASP23 4.7 20.7 0.5 C A:ASP23 4.8 20.1 1.0 CB A:ASP23 4.8 20.4 0.5 CA A:ASP23 4.9 20.0 0.5 CA A:ASP23 4.9 20.2 0.5

Sodium binding site 2 out of 2 in the X-Ray Structure of Zint From Salmonella Enterica in Complex with Zinc Ion and Peg


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of X-Ray Structure of Zint From Salmonella Enterica in Complex with Zinc Ion and Peg within 5.0Å range: probe atom residue distance (Å) B Occ A:Na1202 b:26.6 occ:1.00 O1 A:SO41194 2.0 39.0 0.7 O A:HOH2037 2.7 16.9 1.0 O A:TYR105 2.9 23.0 1.0 O A:HOH2150 3.1 29.1 1.0 S A:SO41194 3.4 40.1 0.7 N A:TYR107 3.8 22.2 1.0 O3 A:SO41194 3.9 39.7 0.7 C A:TYR105 3.9 22.8 1.0 O2 A:SO41194 4.0 39.3 0.7 CE2 A:PHE126 4.0 15.0 1.0 CB A:LEU32 4.2 14.6 1.0 CA A:ASN106 4.2 23.6 1.0 CD2 A:PHE126 4.3 16.4 1.0 CD2 A:LEU32 4.3 17.6 1.0 C A:ASN106 4.3 22.9 1.0 O A:HOH2148 4.4 25.5 1.0 O4 A:SO41194 4.4 39.9 0.7 CB A:TYR107 4.5 21.4 1.0 N A:ASN106 4.5 22.7 1.0 O A:HOH2038 4.5 24.1 1.0 CA A:TYR107 4.6 21.5 1.0 O A:HOH2091 4.7 30.8 1.0 CG A:LEU32 4.9 15.2 1.0 N A:LEU32 5.0 14.1 1.0

A.Ilari, F.Alaleona, G.Tria, P.Petrarca, A.Battistoni, C.Zamparelli, D.Verzili, M.Falconi, E.Chiancone. The Salmonella Enterica Zint Structure, Zinc Affinity and Interaction with the High-Affinity Uptake Protein Znua Provide Insight Into the Management of Periplasmic Zinc. Biochim.Biophys.Acta V.1840 535 2014.
ISSN: ISSN 0006-3002
PubMed: 24128931
DOI: 10.1016/J.BBAGEN.2013.10.010