Calcium 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
Sodium	(Na)	4 atoms

The binding sites of Calcium 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 Calcium atom.
In total 3 binding sites of Calcium where determined in the Structural Variations and Solvent Structure of Uggggu Quadruplexes Stabilized By SR2+ Ions, PDB code: 4rj1:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Structural Variations and Solvent Structure of Uggggu Quadruplexes Stabilized By SR2+ Ions


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca 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 B:Ca2104 b:6.4 occ:0.49 OP1 B:G2003 2.5 6.4 1.0 O B:HOH2209 2.5 11.9 1.0 O B:HOH2214 2.6 23.1 1.0 O3' B:G2002 3.1 5.3 1.0 P B:G2003 3.4 5.2 1.0 H5'' B:G2003 3.7 5.2 1.0 O B:HOH2218 3.9 9.3 0.6 H5' B:G2003 4.0 5.2 1.0 H4' B:G2002 4.1 5.3 1.0 O B:HOH2225 4.2 9.4 0.5 C5' B:G2003 4.2 5.5 1.0 O5' B:G2003 4.3 5.8 1.0 C3' B:G2002 4.4 4.6 1.0 O B:HOH2217 4.5 27.0 0.8 H5' B:G2002 4.5 8.6 1.0 OP1 B:G2002 4.5 7.6 1.0 O B:HOH2229 4.5 36.5 1.0 O B:HOH2217 4.5 9.6 0.2 O B:HOH2201 4.6 15.4 0.5 OP2 B:G2003 4.7 5.9 1.0 O2' B:G2002 4.7 5.4 1.0 C4' B:G2002 4.7 4.7 1.0 O B:HOH2225 4.8 13.7 0.5 O B:HOH2218 4.9 12.6 0.4 O B:HOH2204 4.9 10.8 1.0

Calcium binding site 2 out of 3 in the Structural Variations and Solvent Structure of Uggggu Quadruplexes Stabilized By SR2+ Ions


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca 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:Ca2105 b:5.3 occ:0.62 OP2 B:G2002 2.3 7.8 1.0 O B:HOH2213 2.4 15.7 1.0 O B:HOH2227 2.4 8.0 0.5 O B:HOH2206 2.4 11.1 1.0 P B:G2002 3.7 6.3 1.0 O B:HOH2208 3.8 8.3 1.0 H3' B:U2001 4.1 8.1 1.0 O5' B:G2002 4.2 6.2 1.0 OP1 B:G2002 4.5 7.6 1.0 O B:HOH2224 4.7 10.9 0.4 O3' B:U2001 4.8 5.7 1.0 O B:HOH2228 4.8 28.7 1.0 H2' B:U2001 4.8 7.5 1.0 C3' B:U2001 4.9 5.8 1.0

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


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca 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:Ca2106 b:7.9 occ:0.35 O B:HOH2203 0.4 8.5 0.7 O4 B:U2001 2.5 8.1 1.0 O A:HOH9103 2.5 10.7 0.6 O B:HOH2230 2.6 9.8 0.2 C4 B:U2001 3.6 6.3 1.0 H5 B:U2001 4.0 8.1 1.0 C5 B:U2001 4.3 6.1 1.0 O2' A:G1004 4.6 6.3 1.0 N3 B:U2001 4.7 5.8 1.0 H3 B:U2001 4.7 7.6 1.0 H5' A:G1005 5.0 11.6 1.0 H4' A:G1004 5.0 8.8 1.0

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