Sodium in PDB 3twf: Crystal Structure of the De Novo Designed Fluorinated Peptide ALPHA4F3A

The structure of Crystal Structure of the De Novo Designed Fluorinated Peptide ALPHA4F3A, PDB code: 3twf was solved by B.C.Buer, J.L.Meagher, J.A.Stuckey, E.N.G.Marsh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.19 / 1.54
Space group	I 41
Cell size a, b, c (Å), α, β, γ (°)	48.349, 48.349, 39.748, 90.00, 90.00, 90.00
R / Rfree (%)	18.6 / 20.9

The structure of Crystal Structure of the De Novo Designed Fluorinated Peptide ALPHA4F3A also contains other interesting chemical elements:

Fluorine

(F)

36 atoms

The binding sites of Sodium atom in the Crystal Structure of the De Novo Designed Fluorinated Peptide ALPHA4F3A (pdb code 3twf). 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 the De Novo Designed Fluorinated Peptide ALPHA4F3A, PDB code: 3twf:

Sodium binding site 1 out of 1 in the Crystal Structure of the De Novo Designed Fluorinated Peptide ALPHA4F3A


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 the De Novo Designed Fluorinated Peptide ALPHA4F3A within 5.0Å range: probe atom residue distance (Å) B Occ B:Na30 b:30.2 occ:1.00 OH B:TYR7 2.2 31.2 1.0 CZ B:TYR7 3.5 29.0 1.0 CE1 B:TYR7 4.2 26.0 1.0 CE2 B:TYR7 4.6 25.5 1.0 OE1 B:GLU11 4.6 18.1 1.0 CD B:GLU11 4.8 20.6 1.0 CG B:GLU11 5.0 17.4 1.0

B.C.Buer, J.L.Meagher, J.A.Stuckey, E.N.Marsh. Structural Basis For the Enhanced Stability of Highly Fluorinated Proteins. Proc.Natl.Acad.Sci.Usa V. 109 4810 2012.
ISSN: ISSN 0027-8424
PubMed: 22411812
DOI: 10.1073/PNAS.1120112109