Strontium in PDB 4rne: 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: 4rne 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)	28.00 / 1.01
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	37.656, 54.197, 95.677, 90.00, 90.00, 90.00
R / Rfree (%)	10.2 / 11.9

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

Calcium	(Ca)	11 atoms
Sodium	(Na)	6 atoms

The binding sites of Strontium atom in the Structural Variations and Solvent Structure of Uggggu Quadruplexes Stabilized By SR2+ Ions (pdb code 4rne). This binding sites where shown within 5.0 Angstroms radius around Strontium atom.
In total 7 binding sites of Strontium where determined in the Structural Variations and Solvent Structure of Uggggu Quadruplexes Stabilized By SR2+ Ions, PDB code: 4rne:
Jump to Strontium binding site number: 1; 2; 3; 4; 5; 6; 7;

Strontium binding site 1 out of 7 in the Structural Variations and Solvent Structure of Uggggu Quadruplexes Stabilized By SR2+ Ions


Mono view


Stereo pair view

A full contact list of Strontium with other atoms in the Sr 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:Sr901 b:5.6 occ:1.00 O6 A:G102 2.6 5.5 1.0 O6 C:G303 2.6 6.1 1.0 O6 C:G302 2.6 5.7 1.0 O6 A:G103 2.6 6.2 1.0 O6 B:G203 2.6 6.1 1.0 O6 D:G403 2.6 6.1 1.0 O6 D:G402 2.6 6.0 1.0 O6 B:G202 2.6 6.0 1.0 H1 C:G302 3.4 8.3 1.0 H1 A:G102 3.4 8.6 1.0 H1 B:G203 3.4 8.3 1.0 H1 D:G403 3.4 8.7 1.0 H1 D:G402 3.4 9.4 1.0 H1 B:G202 3.4 8.2 1.0 H1 A:G103 3.4 7.1 1.0 H1 C:G303 3.4 7.7 1.0 C6 A:G102 3.5 5.5 1.0 C6 C:G302 3.6 5.6 1.0 C6 D:G402 3.6 5.5 1.0 C6 B:G203 3.6 5.8 1.0 C6 C:G303 3.6 5.5 1.0 C6 B:G202 3.6 5.9 1.0 C6 A:G103 3.6 6.0 1.0 C6 D:G403 3.6 5.8 1.0 N1 A:G102 3.9 5.9 1.0 N1 C:G302 3.9 5.7 1.0 N1 B:G203 3.9 5.9 1.0 N1 D:G403 3.9 6.1 1.0 N1 D:G402 3.9 6.0 1.0 N1 C:G303 4.0 5.8 1.0 N1 B:G202 4.0 5.9 1.0 N1 A:G103 4.0 6.2 1.0 C5 A:G102 4.8 6.2 1.0 C5 D:G402 4.8 5.7 1.0 C5 C:G302 4.8 5.9 1.0 C5 B:G202 4.9 6.1 1.0 C5 C:G303 4.9 5.8 1.0 C5 B:G203 4.9 6.5 1.0 C5 D:G403 4.9 6.1 1.0 C5 A:G103 4.9 6.3 1.0

Strontium binding site 2 out of 7 in the Structural Variations and Solvent Structure of Uggggu Quadruplexes Stabilized By SR2+ Ions


Mono view


Stereo pair view

A full contact list of Strontium with other atoms in the Sr 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 B:Sr301 b:12.9 occ:1.00 O6 B:G204 2.6 6.5 1.0 O6 A:G104 2.6 6.7 1.0 O6 C:G304 2.6 6.7 1.0 O6 D:G404 2.6 6.9 1.0 O6 B:G205 2.7 7.2 1.0 O6 A:G105 2.7 7.8 1.0 O6 D:G405 2.7 8.6 1.0 O6 C:G305 2.8 8.0 1.0 NA B:NA302 3.2 8.3 0.8 H1 A:G104 3.3 8.6 1.0 H1 B:G204 3.3 9.2 1.0 H1 D:G404 3.3 7.3 1.0 H1 C:G304 3.3 8.7 1.0 C6 B:G204 3.5 5.9 1.0 C6 A:G104 3.5 6.9 1.0 C6 C:G304 3.5 6.2 1.0 H1 D:G405 3.5 9.0 1.0 H1 B:G205 3.6 9.7 1.0 C6 D:G404 3.6 6.7 1.0 H1 C:G305 3.6 11.3 1.0 C6 A:G105 3.7 8.3 1.0 C6 B:G205 3.7 7.0 1.0 C6 D:G405 3.7 8.9 1.0 C6 C:G305 3.8 7.8 1.0 N1 B:G204 3.8 6.2 1.0 N1 A:G104 3.8 6.8 1.0 N1 D:G404 3.8 6.6 1.0 N1 C:G304 3.9 6.5 1.0 N1 A:G105 4.0 7.9 1.0 N1 D:G405 4.0 9.3 1.0 N1 B:G205 4.0 7.5 1.0 N1 C:G305 4.1 7.8 1.0 NA B:NA302 4.6 6.5 0.1 C5 B:G204 4.8 6.1 1.0 C5 A:G104 4.8 6.8 1.0 C5 C:G304 4.8 6.2 1.0 C5 D:G404 4.8 6.8 1.0 C5 B:G205 4.9 7.3 1.0 C5 A:G105 5.0 8.3 1.0 C5 D:G405 5.0 9.8 1.0

Strontium binding site 3 out of 7 in the Structural Variations and Solvent Structure of Uggggu Quadruplexes Stabilized By SR2+ Ions


Mono view


Stereo pair view

A full contact list of Strontium with other atoms in the Sr 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 E:Sr601 b:11.5 occ:0.50 O6 F:G604 2.6 7.9 1.0 O6 E:G504 2.6 8.1 1.0 O6 F:G605 2.7 9.5 1.0 O6 E:G505 2.7 9.8 1.0 H1 E:G504 3.3 15.3 1.0 H1 F:G604 3.3 12.6 1.0 NA F:NA701 3.4 6.8 0.2 C6 E:G504 3.5 8.3 1.0 C6 F:G604 3.5 7.5 1.0 H1 E:G505 3.6 19.5 1.0 H1 F:G605 3.6 17.2 1.0 C6 F:G605 3.7 9.8 1.0 C6 E:G505 3.7 10.0 1.0 N1 E:G504 3.8 7.9 1.0 N1 F:G604 3.8 7.9 1.0 N1 F:G605 4.0 9.8 1.0 N1 E:G505 4.1 9.8 1.0 NA F:NA701 4.3 20.8 0.3 C5 E:G504 4.8 8.2 1.0 C5 F:G604 4.8 7.9 1.0 C5 F:G605 4.9 10.6 1.0 C5 E:G505 5.0 10.3 1.0

Strontium binding site 4 out of 7 in the Structural Variations and Solvent Structure of Uggggu Quadruplexes Stabilized By SR2+ Ions


Mono view


Stereo pair view

A full contact list of Strontium with other atoms in the Sr 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 E:Sr602 b:6.9 occ:0.50 O6 E:G502 2.6 7.4 1.0 O6 E:G503 2.6 7.0 1.0 O6 F:G603 2.6 7.4 1.0 O6 F:G602 2.6 7.4 1.0 H1 E:G502 3.4 14.3 1.0 H1 F:G602 3.4 12.9 1.0 H1 F:G603 3.4 12.3 1.0 H1 E:G503 3.4 15.4 1.0 C6 E:G502 3.6 7.3 1.0 C6 F:G602 3.6 7.1 1.0 C6 F:G603 3.6 7.0 1.0 C6 E:G503 3.6 6.9 1.0 N1 E:G502 3.9 6.9 1.0 N1 F:G602 3.9 7.0 1.0 N1 F:G603 4.0 7.3 1.0 N1 E:G503 4.0 7.1 1.0 C5 E:G502 4.8 7.1 1.0 C5 F:G602 4.8 7.5 1.0 C5 E:G503 4.9 7.1 1.0 C5 F:G603 4.9 7.5 1.0

Strontium binding site 5 out of 7 in the Structural Variations and Solvent Structure of Uggggu Quadruplexes Stabilized By SR2+ Ions


Mono view


Stereo pair view

A full contact list of Strontium with other atoms in the Sr binding site number 5 of Structural Variations and Solvent Structure of Uggggu Quadruplexes Stabilized By SR2+ Ions within 5.0Å range: probe atom residue distance (Å) B Occ E:Sr603 b:9.2 occ:0.97 O4 E:U501 2.5 11.1 1.0 O E:HOH707 2.6 12.3 1.0 O E:HOH718 2.6 14.6 1.0 O G:HOH904 2.6 10.8 1.0 O G:HOH907 2.6 11.6 1.0 O E:HOH711 2.6 10.0 1.0 O E:HOH716 2.7 14.0 1.0 C4 E:U501 3.6 9.2 1.0 H5 E:U501 4.0 11.6 1.0 C5 E:U501 4.3 9.6 1.0 O G:HOH921 4.5 13.7 0.8 O2' G:G704 4.6 11.0 1.0 O G:HOH918 4.7 20.3 0.7 N3 E:U501 4.7 8.7 1.0 O E:HOH726 4.7 17.5 0.5 H3 E:U501 4.7 10.8 1.0 O G:HOH908 4.8 15.5 1.0 O G:HOH923 4.9 19.6 0.4

Strontium binding site 6 out of 7 in the Structural Variations and Solvent Structure of Uggggu Quadruplexes Stabilized By SR2+ Ions


Mono view


Stereo pair view

A full contact list of Strontium with other atoms in the Sr binding site number 6 of Structural Variations and Solvent Structure of Uggggu Quadruplexes Stabilized By SR2+ Ions within 5.0Å range: probe atom residue distance (Å) B Occ G:Sr801 b:7.4 occ:0.50 O6 G:G703 2.6 7.7 1.0 O6 H:G803 2.6 8.2 1.0 O6 G:G702 2.6 7.5 1.0 O6 H:G802 2.6 7.4 1.0 H1 G:G702 3.4 13.5 1.0 H1 H:G802 3.4 16.8 1.0 H1 H:G803 3.4 14.3 1.0 H1 G:G703 3.4 13.1 1.0 C6 G:G702 3.6 7.4 1.0 C6 G:G703 3.6 7.6 1.0 C6 H:G802 3.6 7.9 1.0 C6 H:G803 3.6 8.1 1.0 N1 G:G702 3.9 7.2 1.0 N1 H:G802 3.9 8.1 1.0 N1 H:G803 3.9 8.3 1.0 N1 G:G703 4.0 8.2 1.0 C5 G:G702 4.8 7.2 1.0 C5 H:G802 4.9 7.4 1.0 C5 G:G703 4.9 7.7 1.0 C5 H:G803 4.9 8.0 1.0

Strontium binding site 7 out of 7 in the Structural Variations and Solvent Structure of Uggggu Quadruplexes Stabilized By SR2+ Ions


Mono view


Stereo pair view

A full contact list of Strontium with other atoms in the Sr binding site number 7 of Structural Variations and Solvent Structure of Uggggu Quadruplexes Stabilized By SR2+ Ions within 5.0Å range: probe atom residue distance (Å) B Occ G:Sr802 b:12.0 occ:0.50 O6 H:G804 2.6 9.6 1.0 O6 G:G704 2.6 9.8 1.0 O6 H:G805 2.7 12.4 1.0 O6 G:G705 2.7 11.8 1.0 NA H:NA901 3.1 24.6 0.5 H1 H:G804 3.3 15.2 1.0 H1 G:G704 3.4 15.8 1.0 C6 H:G804 3.5 9.5 1.0 H1 H:G805 3.5 15.8 1.0 H1 G:G705 3.5 21.0 1.0 C6 G:G704 3.6 9.2 1.0 C6 H:G805 3.6 11.2 1.0 C6 G:G705 3.7 12.0 1.0 N1 H:G804 3.9 9.2 1.0 N1 G:G704 3.9 9.2 1.0 N1 H:G805 4.0 11.8 1.0 N1 G:G705 4.0 12.9 1.0 C5 H:G804 4.8 9.7 1.0 C5 G:G704 4.8 9.7 1.0 C5 H:G805 4.9 12.6 1.0 C5 G:G705 4.9 12.4 1.0 O4 G:U706 4.9 28.4 0.8

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