Sodium in PDB 4rj1: Structural Variations and Solvent Structure of Uggggu Quadruplexes Stabilized By SR2+ Ions

The structure of Structural Variations and Solvent Structure of Uggggu Quadruplexes Stabilized By SR2+ Ions, PDB code: 4rj1 was solved by A.C.Fyfe, P.W.Dunten, W.G.Scott, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.38 / 0.92
Space group	P 4 21 2
Cell size a, b, c (Å), α, β, γ (°)	36.618, 36.618, 37.382, 90.00, 90.00, 90.00
R / Rfree (%)	9.1 / 10.9

The structure of Structural Variations and Solvent Structure of Uggggu Quadruplexes Stabilized By SR2+ Ions also contains other interesting chemical elements:

Strontium	(Sr)	5 atoms
Calcium	(Ca)	3 atoms

The binding sites of Sodium atom in the Structural Variations and Solvent Structure of Uggggu Quadruplexes Stabilized By SR2+ Ions (pdb code 4rj1). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 4 binding sites of Sodium where determined in the Structural Variations and Solvent Structure of Uggggu Quadruplexes Stabilized By SR2+ Ions, PDB code: 4rj1:
Jump to Sodium binding site number: 1; 2; 3; 4;

Sodium binding site 1 out of 4 in the Structural Variations and Solvent Structure of Uggggu Quadruplexes Stabilized By SR2+ Ions


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Structural Variations and Solvent Structure of Uggggu Quadruplexes Stabilized By SR2+ Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Na9003 b:5.9 occ:0.14 O4 B:U2006 2.9 8.6 0.8 H3 B:U2006 3.5 9.1 0.8 C4 B:U2006 3.9 7.1 0.8 N3 B:U2006 4.1 7.4 0.8 NA B:NA2103 4.7 44.2 0.2

Sodium binding site 2 out of 4 in the Structural Variations and Solvent Structure of Uggggu Quadruplexes Stabilized By SR2+ Ions


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Structural Variations and Solvent Structure of Uggggu Quadruplexes Stabilized By SR2+ Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Na9003 b:5.1 occ:0.11 O4 A:U1006 2.4 6.2 1.0 H3 A:U1006 3.0 7.3 1.0 C4 A:U1006 3.4 5.5 1.0 N3 A:U1006 3.6 5.7 1.0 O6 A:G1005 3.8 4.8 1.0 H1 A:G1005 4.2 6.3 1.0 C6 A:G1005 4.3 4.8 1.0 SR A:SR9001 4.3 4.5 0.2 N1 A:G1005 4.5 4.9 1.0 C5 A:U1006 4.7 6.1 1.0 C2 A:U1006 4.9 6.5 1.0

Sodium binding site 3 out of 4 in the Structural Variations and Solvent Structure of Uggggu Quadruplexes Stabilized By SR2+ Ions


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of Structural Variations and Solvent Structure of Uggggu Quadruplexes Stabilized By SR2+ Ions within 5.0Å range: probe atom residue distance (Å) B Occ B:Na2103 b:6.8 occ:0.05 NA B:NA2103 0.0 6.8 0.1 NA B:NA2103 2.1 44.2 0.2 O B:HOH2232 2.8 24.4 0.3 O6 B:G2005 3.7 4.1 1.0 O B:HOH2232 3.9 13.5 0.7 O B:HOH2233 4.1 28.4 1.0 C6 B:G2005 4.3 4.0 1.0 H1 B:G2005 4.3 5.2 1.0 SR B:SR2102 4.4 3.5 0.2 N1 B:G2005 4.6 4.2 1.0

Sodium binding site 4 out of 4 in the Structural Variations and Solvent Structure of Uggggu Quadruplexes Stabilized By SR2+ Ions


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 4 of Structural Variations and Solvent Structure of Uggggu Quadruplexes Stabilized By SR2+ Ions within 5.0Å range: probe atom residue distance (Å) B Occ B:Na2103 b:44.2 occ:0.20 NA B:NA2103 0.0 44.2 0.2 NA B:NA2103 2.1 6.8 0.1 O B:HOH2232 3.1 24.4 0.3 O4 B:U2006 4.1 8.6 0.8 H3 B:U2006 4.1 9.1 0.8 O B:HOH2232 4.2 13.5 0.7 C4 B:U2006 4.3 7.1 0.8 O B:HOH2233 4.3 28.4 1.0 N3 B:U2006 4.3 7.4 0.8 NA A:NA9003 4.7 5.9 0.1

A.C.Fyfe, P.W.Dunten, W.G.Scott. Structural Variations and Solvent Structure of Uggggu Quadruplexes Stabilized By SR2+ Ions. To Be Published.