Sodium in PDB 7jxn: Beta Hairpin Derived From ABETA17-36 with An F20CHA Mutation

The structure of Beta Hairpin Derived From ABETA17-36 with An F20CHA Mutation, PDB code: 7jxn was solved by A.G.Kreutzer, S.Haerianardakani, J.S.Nowick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.19 / 2.00
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	37.167, 37.167, 116.994, 90.00, 90.00, 120.00
R / Rfree (%)	27.7 / 30.1

The structure of Beta Hairpin Derived From ABETA17-36 with An F20CHA Mutation also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Sodium atom in the Beta Hairpin Derived From ABETA17-36 with An F20CHA Mutation (pdb code 7jxn). 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 Beta Hairpin Derived From ABETA17-36 with An F20CHA Mutation, PDB code: 7jxn:

Sodium binding site 1 out of 1 in the Beta Hairpin Derived From ABETA17-36 with An F20CHA Mutation


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Beta Hairpin Derived From ABETA17-36 with An F20CHA Mutation within 5.0Å range: probe atom residue distance (Å) B Occ A:Na102 b:19.9 occ:1.00 HB3 A:SER12 2.2 32.1 1.0 HB2 A:LYS14 2.2 20.9 1.0 HB2 A:SER12 2.8 32.1 1.0 CB A:SER12 2.8 26.7 1.0 CL A:CL101 2.8 21.7 1.0 OD1 D:ASP9 2.9 15.4 1.0 O A:HOH201 3.0 17.5 1.0 HB3 A:ALA16 3.0 21.7 1.0 CB A:LYS14 3.1 17.5 1.0 HG3 A:LYS14 3.1 20.8 1.0 HG2 A:LYS14 3.2 20.8 1.0 OG A:SER12 3.3 24.0 1.0 CG A:LYS14 3.3 17.4 1.0 H A:LYS14 3.4 23.1 1.0 HG21 D:ILE18 3.6 22.3 1.0 H A:ALA16 3.7 20.9 1.0 CG D:ASP9 3.7 16.1 1.0 HB3 A:LYS14 3.7 20.9 1.0 OD2 D:ASP9 3.9 17.4 1.0 CA A:LYS14 3.9 20.2 1.0 N A:LYS14 3.9 19.3 1.0 CB A:ALA16 3.9 18.1 1.0 HG22 D:ILE18 4.0 22.3 1.0 HB1 A:ALA16 4.0 21.7 1.0 CG2 D:ILE18 4.1 18.6 1.0 HG23 D:ILE18 4.1 22.3 1.0 HG A:SER12 4.1 28.8 1.0 CA A:SER12 4.2 23.6 1.0 C A:LYS14 4.2 16.6 1.0 N A:ALA16 4.4 17.5 1.0 C A:SER12 4.5 17.6 1.0 O A:LYS14 4.6 16.6 1.0 HB2 A:ALA16 4.6 21.7 1.0 CA A:ALA16 4.7 17.9 1.0 N A:GLY15 4.7 19.0 1.0 HA A:LYS14 4.8 24.3 1.0 N A:ASN13 4.8 17.4 1.0 H A:GLY15 4.8 22.8 1.0 CD A:LYS14 4.8 20.2 1.0 HA A:SER12 4.8 28.3 1.0 H A:ASN13 4.9 20.9 1.0 O A:SER12 4.9 17.6 1.0 N A:SER12 4.9 24.6 1.0 HB2 D:ASP9 4.9 19.1 1.0 CB D:ASP9 4.9 16.0 1.0 HA A:ALA16 5.0 21.5 1.0

S.Haerianardakani, A.G.Kreutzer, P.J.Salveson, T.D.Samdin, G.E.Guaglianone, J.S.Nowick. Phenylalanine Mutation to Cyclohexylalanine Facilitates Triangular Trimer Formation By Beta-Hairpins Derived From A Beta. J.Am.Chem.Soc. 2020.
ISSN: ESSN 1520-5126
PubMed: 33237748
DOI: 10.1021/JACS.0C09281