Sodium in PDB 7ac3: Structure of Thaumatin Collected By Rotation Serial Crystallography on A Coc Membrane at A Synchrotron Source

The structure of Structure of Thaumatin Collected By Rotation Serial Crystallography on A Coc Membrane at A Synchrotron Source, PDB code: 7ac3 was solved by I.Martiel, C.Padeste, A.Karpik, C.Y.Huang, L.Vera, M.Wang, M.Marsh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.92 / 1.65
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	58, 58, 150.31, 90, 90, 90
R / Rfree (%)	16.5 / 21.1

The binding sites of Sodium atom in the Structure of Thaumatin Collected By Rotation Serial Crystallography on A Coc Membrane at A Synchrotron Source (pdb code 7ac3). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Structure of Thaumatin Collected By Rotation Serial Crystallography on A Coc Membrane at A Synchrotron Source, PDB code: 7ac3:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Structure of Thaumatin Collected By Rotation Serial Crystallography on A Coc Membrane at A Synchrotron Source


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Structure of Thaumatin Collected By Rotation Serial Crystallography on A Coc Membrane at A Synchrotron Source within 5.0Å range: probe atom residue distance (Å) B Occ A:Na304 b:52.1 occ:1.00 O A:HOH611 2.4 42.3 1.0 O A:HOH482 3.3 24.7 1.0 OG A:SER91 3.4 23.2 1.0 C A:PHE90 4.0 19.1 1.0 N A:PHE90 4.0 17.8 1.0 O A:PHE90 4.1 21.0 1.0 CA A:GLY47 4.3 23.9 1.0 CB A:GLU89 4.3 17.2 1.0 CA A:PHE90 4.3 19.0 1.0 N A:SER91 4.3 19.3 1.0 CB A:SER91 4.4 23.7 1.0 OD2 A:ASP101 4.5 26.3 1.0 C A:GLU89 4.5 15.6 1.0 N A:GLY47 4.5 22.1 1.0 CA A:SER91 4.9 20.9 1.0 CA A:GLU89 5.0 16.2 1.0 O A:GLU89 5.0 18.4 1.0

Sodium binding site 2 out of 2 in the Structure of Thaumatin Collected By Rotation Serial Crystallography on A Coc Membrane at A Synchrotron Source


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Structure of Thaumatin Collected By Rotation Serial Crystallography on A Coc Membrane at A Synchrotron Source within 5.0Å range: probe atom residue distance (Å) B Occ A:Na305 b:49.1 occ:1.00 O A:HOH642 2.3 59.9 1.0 OE1 A:GLU89 3.1 23.4 1.0 O A:HOH443 3.9 26.2 1.0 CD A:GLU89 4.1 23.7 1.0 OD2 A:ASP101 4.1 26.3 1.0 CD1 A:PHE181 4.2 21.6 1.0 CE1 A:PHE181 4.3 19.9 1.0 OD1 A:ASP101 4.3 22.1 1.0 CG A:PHE181 4.3 22.0 1.0 OE2 A:GLU89 4.3 25.2 1.0 CZ A:PHE181 4.4 22.6 1.0 CD2 A:PHE181 4.5 21.6 1.0 CD1 A:ILE105 4.5 20.9 1.0 CE2 A:PHE181 4.5 21.0 1.0 CG A:ASP101 4.6 23.4 1.0 CB A:SER103 4.9 17.2 1.0 OG A:SER103 5.0 19.8 1.0

I.Martiel, J.H.Beale, A.Karpik, C.Y.Huang, L.Vera, N.Olieric, M.Wranik, C.J.Tsai, J.Muhle, O.Aurelius, J.John, M.Hogbom, M.Wang, M.Marsh, C.Padeste. Versatile Microporous Polymer-Based Supports For Serial Macromolecular Crystallography Acta Crystallogr.,Sect.D 2021.
ISSN: ESSN 1399-0047
DOI: 10.1107/S2059798321007324