Barium in PDB 3p4b: Alternatingly Modified 2'Fluoro Rna Octamer F/RA2U2-P3

The structure of Alternatingly Modified 2'Fluoro Rna Octamer F/RA2U2-P3, PDB code: 3p4b was solved by P.S.Pallan, E.M.Greene, P.A.Jicman, R.K.Pandey, M.Manoharan, E.Rozners, M.Egli, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	21.69 / 1.45
Space group	P 3
Cell size a, b, c (Å), α, β, γ (°)	43.383, 43.383, 60.987, 90.00, 90.00, 120.00
R / Rfree (%)	19.7 / 25.1

The structure of Alternatingly Modified 2'Fluoro Rna Octamer F/RA2U2-P3 also contains other interesting chemical elements:

Fluorine

(F)

24 atoms

The binding sites of Barium atom in the Alternatingly Modified 2'Fluoro Rna Octamer F/RA2U2-P3 (pdb code 3p4b). This binding sites where shown within 5.0 Angstroms radius around Barium atom.
In total 2 binding sites of Barium where determined in the Alternatingly Modified 2'Fluoro Rna Octamer F/RA2U2-P3, PDB code: 3p4b:
Jump to Barium binding site number: 1; 2;

Barium binding site 1 out of 2 in the Alternatingly Modified 2'Fluoro Rna Octamer F/RA2U2-P3


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 1 of Alternatingly Modified 2'Fluoro Rna Octamer F/RA2U2-P3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba701 b:46.1 occ:1.00 O A:HOH775 2.5 25.1 1.0 O A:HOH729 2.8 27.9 1.0 O4 A:UFT105 3.0 17.7 1.0 C4 A:UFT105 4.2 13.0 1.0 N6 B:A204 4.5 16.6 1.0 C5 A:UFT105 4.6 14.9 1.0 O A:HOH721 4.7 31.0 1.0 N6 A:A104 4.7 14.3 1.0 N7 A:A104 4.8 13.9 1.0 O4 A:U106 4.8 19.7 1.0 O A:HOH824 4.8 20.3 1.0

Barium binding site 2 out of 2 in the Alternatingly Modified 2'Fluoro Rna Octamer F/RA2U2-P3


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 2 of Alternatingly Modified 2'Fluoro Rna Octamer F/RA2U2-P3 within 5.0Å range: probe atom residue distance (Å) B Occ D:Ba702 b:45.6 occ:1.00 O D:HOH825 2.5 26.6 1.0 O D:HOH734 2.8 27.3 1.0 O4 D:UFT405 3.0 17.6 1.0 C4 D:UFT405 4.2 12.8 1.0 N6 C:A304 4.5 17.2 1.0 O D:HOH731 4.6 29.4 1.0 C5 D:UFT405 4.7 14.7 1.0 N6 D:A404 4.7 15.0 1.0 N7 D:A404 4.8 13.5 1.0 O4 D:U406 4.9 18.6 1.0 O C:HOH726 5.0 40.2 1.0

P.S.Pallan, E.M.Greene, P.A.Jicman, R.K.Pandey, M.Manoharan, E.Rozners, M.Egli. Unexpected Origins of the Enhanced Pairing Affinity of 2'-Fluoro-Modified Rna. Nucleic Acids Res. V. 39 3482 2011.
ISSN: ISSN 0305-1048
PubMed: 21183463
DOI: 10.1093/NAR/GKQ1270