Sodium in PDB 6hah: Crystal Structure of Paf - P-Sulfonatocalix[6]Arene Complex

The structure of Crystal Structure of Paf - P-Sulfonatocalix[6]Arene Complex, PDB code: 6hah was solved by J.M.Alex, M.Rennie, S.Engilberge, G.Batta, P.B.Crowley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.00 / 1.45
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	24.739, 38.590, 29.230, 90.00, 112.09, 90.00
R / Rfree (%)	20 / 23.6

The binding sites of Sodium atom in the Crystal Structure of Paf - P-Sulfonatocalix[6]Arene Complex (pdb code 6hah). 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 Paf - P-Sulfonatocalix[6]Arene Complex, PDB code: 6hah:

Sodium binding site 1 out of 1 in the Crystal Structure of Paf - P-Sulfonatocalix[6]Arene Complex


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 Paf - P-Sulfonatocalix[6]Arene Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Na104 b:17.3 occ:1.00 O A:CYS54 2.3 14.4 1.0 OD1 A:ASP53 2.3 18.6 1.0 OD1 A:ASP55 2.5 16.2 1.0 O A:ASN33 2.6 31.8 1.0 C A:CYS54 3.2 13.0 1.0 CG A:ASP53 3.4 20.8 1.0 CA A:ASP55 3.6 13.6 1.0 CG A:ASP55 3.7 16.9 1.0 C A:ASN33 3.7 33.5 1.0 N A:ASP55 3.8 13.2 1.0 OD2 A:ASP53 3.9 25.1 1.0 CA A:LYS34 4.0 23.3 0.4 CA A:LYS34 4.0 22.8 0.6 O A:HOH211 4.1 25.5 1.0 N A:CYS54 4.2 9.9 1.0 OD1 A:ASN33 4.2 39.1 1.0 CB A:ASP55 4.2 14.3 1.0 CA A:CYS54 4.3 8.8 1.0 O A:HOH223 4.3 17.6 1.0 N A:LYS34 4.3 27.1 0.4 N A:LYS34 4.3 26.8 0.6 C A:ASP53 4.4 9.8 1.0 CG A:ASN33 4.6 51.3 1.0 CB A:ASP53 4.7 12.6 1.0 C A:LYS34 4.7 22.8 0.4 C A:LYS34 4.7 21.7 0.6 OD2 A:ASP55 4.7 16.0 1.0 O A:ASP53 4.8 8.8 1.0 C A:ASP55 4.9 16.6 1.0 CA A:ASP53 4.9 10.3 1.0 CA A:ASN33 4.9 30.7 1.0 O A:LYS34 5.0 18.1 0.4 CG A:LYS34 5.0 39.3 0.4 ND2 A:ASN33 5.0 45.9 1.0

J.M.Alex, M.L.Rennie, S.Engilberge, G.Lehoczki, H.Dorottya, A.Fizil, G.Batta, P.B.Crowley. Calixarene-Mediated Assembly of A Small Antifungal Protein. Iucrj V. 6 238 2019.
ISSN: ESSN 2052-2525
PubMed: 30867921
DOI: 10.1107/S2052252519000411