Magnesium in PDB 4f2y: Structure of 3'-Fluoro Cyclohexenyl Nucleic Acid Decamer

The structure of Structure of 3'-Fluoro Cyclohexenyl Nucleic Acid Decamer, PDB code: 4f2y was solved by P.S.Pallan, M.Egli, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.88 / 1.59
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	24.775, 38.299, 47.746, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 25.3

The structure of Structure of 3'-Fluoro Cyclohexenyl Nucleic Acid Decamer also contains other interesting chemical elements:

Fluorine

(F)

2 atoms

The binding sites of Magnesium atom in the Structure of 3'-Fluoro Cyclohexenyl Nucleic Acid Decamer (pdb code 4f2y). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure of 3'-Fluoro Cyclohexenyl Nucleic Acid Decamer, PDB code: 4f2y:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of 3'-Fluoro Cyclohexenyl Nucleic Acid Decamer


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of 3'-Fluoro Cyclohexenyl Nucleic Acid Decamer within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg201 b:25.8 occ:1.00 O A:HOH304 2.0 28.6 1.0 O A:HOH305 2.0 21.4 1.0 O A:HOH303 2.1 31.2 1.0 O A:HOH301 2.1 24.3 1.0 O B:HOH402 2.2 25.9 1.0 O A:HOH302 2.2 19.2 1.0 O6 A:DG103 4.2 14.8 1.0 O B:HOH432 4.2 25.2 1.0 O4 A:DT104 4.2 13.6 1.0 O A:HOH308 4.3 31.6 1.0 O A:HOH314 4.4 26.9 1.0 N7 A:DG103 4.5 13.6 1.0 N6 A:DA105 4.5 12.1 1.0 O A:HOH318 4.6 21.9 0.5 O4 B:XTF206 4.6 11.0 1.0 O B:HOH424 4.7 26.9 1.0 C6 A:DG103 4.9 12.8 1.0 N6 B:DA207 4.9 11.9 1.0 O A:HOH311 5.0 28.5 1.0

Magnesium binding site 2 out of 2 in the Structure of 3'-Fluoro Cyclohexenyl Nucleic Acid Decamer


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of 3'-Fluoro Cyclohexenyl Nucleic Acid Decamer within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg301 b:10.8 occ:1.00 O B:HOH405 1.9 27.3 1.0 O B:HOH408 2.0 26.6 1.0 O B:HOH404 2.1 25.8 1.0 O B:HOH403 2.1 30.4 1.0 O B:HOH406 2.3 31.5 1.0 OP1 B:DG203 3.8 29.5 1.0 O B:HOH426 4.2 32.4 1.0 O B:HOH418 4.3 11.0 1.0

P.P.Seth, J.Yu, A.Jazayeri, P.S.Pallan, C.R.Allerson, M.E.Ostergaard, F.Liu, P.Herdewijn, M.Egli, E.E.Swayze. Synthesis and Antisense Properties of Fluoro Cyclohexenyl Nucleic Acid (F-Cena), A Nuclease Stable Mimic of 2'-Fluoro Rna. J.Org.Chem. V. 77 5074 2012.
ISSN: ISSN 0022-3263
PubMed: 22591005
DOI: 10.1021/JO300594B