Calcium in PDB 3r1e: Crystal Structure of Gc(8BRG)Gcggc Duplex

The structure of Crystal Structure of Gc(8BRG)Gcggc Duplex, PDB code: 3r1e was solved by A.Kiliszek, R.Kierzek, W.J.Krzyzosiak, W.Rypniewski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	16.41 / 0.97
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	50.666, 22.538, 44.183, 90.00, 117.82, 90.00
R / Rfree (%)	13.7 / n/a

The structure of Crystal Structure of Gc(8BRG)Gcggc Duplex also contains other interesting chemical elements:

Bromine

(Br)

4 atoms

The binding sites of Calcium atom in the Crystal Structure of Gc(8BRG)Gcggc Duplex (pdb code 3r1e). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Gc(8BRG)Gcggc Duplex, PDB code: 3r1e:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Gc(8BRG)Gcggc Duplex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Gc(8BRG)Gcggc Duplex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca10 b:12.4 occ:1.00 O6 A:G6 2.2 10.0 0.5 O A:HOH23 2.4 16.2 1.0 O A:HOH71 2.4 26.4 1.0 O A:HOH21 2.4 13.1 1.0 O A:HOH26 2.4 14.1 1.0 O A:HOH19 2.4 11.6 1.0 O A:HOH59 2.5 17.6 1.0 O6 A:G6 2.5 10.5 0.5 C6 A:G6 3.4 9.3 0.5 C6 A:G6 3.7 9.6 0.5 C5 A:G6 4.2 9.0 0.5 O A:HOH102 4.2 18.6 0.5 N4 A:C5 4.2 9.0 1.0 O1 A:GOL9 4.3 16.1 0.8 O2 A:GOL9 4.3 12.9 0.8 N7 A:G6 4.3 10.0 0.5 O A:HOH15 4.3 14.4 1.0 N1 A:G6 4.4 8.4 0.5 O B:HOH98 4.4 28.5 1.0 O6 A:G7 4.5 11.4 1.0 O B:HOH37 4.5 19.6 1.0 C5 A:G6 4.5 10.1 0.5 O6 B:GRB3 4.5 11.1 1.0 N7 A:G6 4.5 9.5 0.5 N1 A:G6 4.8 10.1 0.5 O A:HOH14 4.8 13.2 1.0 N4 B:C2 4.8 13.1 1.0 O A:HOH68 5.0 11.1 0.5

Calcium binding site 2 out of 2 in the Crystal Structure of Gc(8BRG)Gcggc Duplex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Gc(8BRG)Gcggc Duplex within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca9 b:16.7 occ:1.00 O6 B:G6 2.3 8.7 1.0 O B:HOH92 2.4 25.2 1.0 O B:HOH13 2.5 13.7 1.0 O B:HOH50 2.5 18.0 1.0 O B:HOH54 2.5 16.4 0.7 O B:HOH29 2.6 15.7 1.0 C6 B:G6 3.4 8.1 1.0 O B:HOH54 3.5 14.9 0.3 N4 B:C5 3.8 8.9 1.0 O A:HOH75 4.1 26.0 1.0 N7 B:G6 4.2 8.8 1.0 C5 B:G6 4.2 8.6 1.0 O B:HOH69 4.3 31.6 1.0 O A:HOH64 4.4 23.1 1.0 N4 A:C2 4.5 9.7 1.0 O6 B:G7 4.5 9.1 1.0 C4 B:C5 4.5 7.9 1.0 N1 B:G6 4.6 7.9 1.0 C5 B:C5 4.7 8.3 1.0 O B:HOH20 4.7 14.0 1.0 O6 A:GRB3 4.8 8.9 1.0 O B:HOH31 4.9 18.4 0.5

A.Kiliszek, R.Kierzek, W.J.Krzyzosiak, W.Rypniewski. Crystal Structures of Cgg Rna Repeats with Implications For Fragile X-Associated Tremor Ataxia Syndrome. Nucleic Acids Res. V. 39 7308 2011.
ISSN: ISSN 0305-1048
PubMed: 21596781
DOI: 10.1093/NAR/GKR368