Sodium in PDB 4ain: Crystal Structure of Betp with Asymmetric Protomers.

The structure of Crystal Structure of Betp with Asymmetric Protomers., PDB code: 4ain was solved by C.Koshy, C.Ziegler, O.Yildiz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.140 / 3.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	112.810, 128.150, 159.690, 90.00, 90.00, 90.00
R / Rfree (%)	22.54 / 28.49

The structure of Crystal Structure of Betp with Asymmetric Protomers. also contains other interesting chemical elements:

Chlorine

(Cl)

4 atoms

The binding sites of Sodium atom in the Crystal Structure of Betp with Asymmetric Protomers. (pdb code 4ain). 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 Betp with Asymmetric Protomers., PDB code: 4ain:

Sodium binding site 1 out of 1 in the Crystal Structure of Betp with Asymmetric Protomers.


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 Betp with Asymmetric Protomers. within 5.0Å range: probe atom residue distance (Å) B Occ B:Na1558 b:0.4 occ:1.00 O B:ALA147 2.2 0.9 1.0 OG1 B:THR467 2.3 0.1 1.0 O B:PHE464 2.3 0.6 1.0 OG B:SER468 2.4 0.5 1.0 O B:MET150 2.5 0.4 1.0 N B:SER468 2.7 0.5 1.0 CB B:SER468 2.8 0.3 1.0 CA B:SER468 3.1 0.7 1.0 C B:ALA147 3.3 0.2 1.0 C B:THR467 3.4 0.4 1.0 C B:PHE464 3.5 0.0 1.0 CB B:THR467 3.6 0.0 1.0 C B:MET150 3.6 0.7 1.0 CA B:THR467 3.9 0.3 1.0 CA B:ALA147 4.0 0.8 1.0 CA B:GLY151 4.1 0.8 1.0 O B:THR467 4.2 0.3 1.0 N B:THR467 4.2 0.7 1.0 CA B:PHE464 4.2 0.0 1.0 N B:GLY151 4.3 1.0 1.0 N B:ALA148 4.3 1.0 1.0 O B:PHE465 4.4 0.6 1.0 CB B:ALA147 4.4 0.1 1.0 CG2 B:THR467 4.5 0.9 1.0 N B:PHE465 4.6 0.0 1.0 CA B:ALA148 4.6 0.2 1.0 C B:PHE465 4.6 0.4 1.0 C B:SER468 4.6 0.5 1.0 C B:ALA148 4.7 0.9 1.0 O B:THR463 4.8 0.4 1.0 CA B:PHE465 4.8 0.1 1.0 CA B:MET150 4.8 0.7 1.0 N B:MET150 4.8 0.8 1.0 O B:ALA148 4.9 0.5 1.0

C.Perez, C.Koshy, O.Yildiz, C.Ziegler. Alternating-Access Mechanism in Conformationally Asymmetric Trimers of the Betaine Transporter Betp. Nature V. 490 126 2012.
ISSN: ISSN 0028-0836
PubMed: 22940865
DOI: 10.1038/NATURE11403