Magnesium in PDB 3p4a: 2'Fluoro Modified Rna Octamer FA2U2

The structure of 2'Fluoro Modified Rna Octamer FA2U2, PDB code: 3p4a was solved by M.Manoharan, A.Akinc, R.K.Pandey, J.Qin, P.Hadwiger, M.John, K.Mills, K.Charisse, M.A.Maier, L.Nechev, E.M.Greene, P.S.Pallan, E.Rozners, K.G.Rajeev, M.Egli, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.20
Space group	P 3
Cell size a, b, c (Å), α, β, γ (°)	43.245, 43.245, 60.791, 90.00, 90.00, 120.00
R / Rfree (%)	17 / 23.4

The structure of 2'Fluoro Modified Rna Octamer FA2U2 also contains other interesting chemical elements:

Fluorine	(F)	52 atoms
Strontium	(Sr)	9 atoms

The binding sites of Magnesium atom in the 2'Fluoro Modified Rna Octamer FA2U2 (pdb code 3p4a). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the 2'Fluoro Modified Rna Octamer FA2U2, PDB code: 3p4a:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the 2'Fluoro Modified Rna Octamer FA2U2


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of 2'Fluoro Modified Rna Octamer FA2U2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg711 b:20.0 occ:0.33 O C:HOH976 2.0 12.8 0.5 O C:HOH979 2.1 12.1 0.6 O C:HOH978 2.2 14.7 0.5 O C:HOH977 2.3 17.5 0.5 O B:HOH980 4.2 12.6 1.0 O C:HOH732 4.3 13.1 1.0 O C:HOH724 4.3 15.0 1.0 O C:HOH714 4.3 14.0 1.0

Magnesium binding site 2 out of 2 in the 2'Fluoro Modified Rna Octamer FA2U2


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of 2'Fluoro Modified Rna Octamer FA2U2 within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg712 b:21.7 occ:0.33 O F:HOH1001 2.0 0.9 0.1 O F:HOH755 2.1 8.6 0.3 O F:HOH777 2.1 12.8 0.6 O F:HOH894 2.2 10.8 0.4 O F:HOH1000 3.5 19.9 0.5 O E:HOH719 4.2 11.7 1.0 O F:HOH722 4.3 15.8 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