Sodium in PDB 5u9t: The Tris-Thiolate Zn(II)S3CL Binding Site Engineered By D-Cysteine Ligands in De Novo Three-Stranded Coiled Coil Environment

The structure of The Tris-Thiolate Zn(II)S3CL Binding Site Engineered By D-Cysteine Ligands in De Novo Three-Stranded Coiled Coil Environment, PDB code: 5u9t was solved by L.Ruckthong, A.F.A.Peacock, J.A.Stuckey, V.L.Pecoraro, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.53 / 1.92
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	76.119, 28.977, 43.917, 90.00, 119.83, 90.00
R / Rfree (%)	19.7 / 22.8

The structure of The Tris-Thiolate Zn(II)S3CL Binding Site Engineered By D-Cysteine Ligands in De Novo Three-Stranded Coiled Coil Environment also contains other interesting chemical elements:

Chlorine	(Cl)	2 atoms
Zinc	(Zn)	6 atoms

The binding sites of Sodium atom in the The Tris-Thiolate Zn(II)S3CL Binding Site Engineered By D-Cysteine Ligands in De Novo Three-Stranded Coiled Coil Environment (pdb code 5u9t). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the The Tris-Thiolate Zn(II)S3CL Binding Site Engineered By D-Cysteine Ligands in De Novo Three-Stranded Coiled Coil Environment, PDB code: 5u9t:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the The Tris-Thiolate Zn(II)S3CL Binding Site Engineered By D-Cysteine Ligands in De Novo Three-Stranded Coiled Coil Environment


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of The Tris-Thiolate Zn(II)S3CL Binding Site Engineered By D-Cysteine Ligands in De Novo Three-Stranded Coiled Coil Environment within 5.0Å range: probe atom residue distance (Å) B Occ A:Na113 b:40.7 occ:0.50 OE1 A:GLU3 2.5 33.3 1.0 N A:TRP2 3.1 31.1 1.0 N A:GLU1 3.5 35.0 1.0 CB A:TRP2 3.5 30.8 1.0 CD A:GLU3 3.6 50.9 1.0 C A:ACE0 3.7 36.7 1.0 CH3 A:ACE0 3.8 36.5 1.0 CA A:TRP2 3.8 31.0 1.0 OE2 A:GLU3 3.9 50.2 1.0 C A:GLU1 4.1 36.3 1.0 N A:GLU3 4.2 27.8 1.0 CA A:GLU1 4.3 34.3 1.0 O A:ACE0 4.4 37.0 1.0 C A:TRP2 4.6 30.5 1.0 CB A:GLU1 4.8 35.7 1.0 CG A:TRP2 4.9 33.4 1.0 CG A:GLU3 4.9 38.7 1.0

Sodium binding site 2 out of 2 in the The Tris-Thiolate Zn(II)S3CL Binding Site Engineered By D-Cysteine Ligands in De Novo Three-Stranded Coiled Coil Environment


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of The Tris-Thiolate Zn(II)S3CL Binding Site Engineered By D-Cysteine Ligands in De Novo Three-Stranded Coiled Coil Environment within 5.0Å range: probe atom residue distance (Å) B Occ B:Na103 b:69.0 occ:0.50 CG B:GLU1 3.4 47.0 1.0 CD B:GLU1 3.7 69.8 1.0 O C:ACT106 3.8 68.5 0.5 O B:HOH202 3.9 32.7 1.0 OE2 B:GLU1 3.9 69.0 1.0 CB B:GLU1 4.3 31.8 1.0 NE1 C:TRP2 4.3 36.9 0.9 OE1 B:GLU1 4.4 58.7 1.0 CD1 C:TRP2 4.5 36.6 0.9

L.Ruckthong, A.F.A.Peacock, C.E.Pascoe, L.Hemmingsen, J.A.Stuckey, V.L.Pecoraro. D-Cysteine Ligands Control Metal Geometries Within De Novo Designed Three-Stranded Coiled Coils. Chemistry V. 23 8232 2017.
ISSN: ISSN 1521-3765
PubMed: 28384393
DOI: 10.1002/CHEM.201700660