Fluorine in PDB 4ena: Crystal Structure of Fluoride Riboswitch, Soaked in Cs+

The structure of Crystal Structure of Fluoride Riboswitch, Soaked in Cs+, PDB code: 4ena was solved by A.M.Ren, K.R.Rajashankar, D.J.Patel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.97 / 2.85
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	58.742, 77.149, 42.477, 90.00, 90.00, 90.00
R / Rfree (%)	22.5 / 26.4

The structure of Crystal Structure of Fluoride Riboswitch, Soaked in Cs+ also contains other interesting chemical elements:

Caesium	(Cs)	5 atoms
Magnesium	(Mg)	7 atoms

The binding sites of Fluorine atom in the Crystal Structure of Fluoride Riboswitch, Soaked in Cs+ (pdb code 4ena). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of Fluoride Riboswitch, Soaked in Cs+, PDB code: 4ena:

Fluorine binding site 1 out of 1 in the Crystal Structure of Fluoride Riboswitch, Soaked in Cs+


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Fluoride Riboswitch, Soaked in Cs+ within 5.0Å range: probe atom residue distance (Å) B Occ A:F113 b:54.0 occ:1.00 MG A:MG108 1.8 46.8 1.0 MG A:MG110 1.9 52.5 1.0 MG A:MG109 1.9 53.2 1.0 OP1 A:G42 2.6 55.4 1.0 OP2 A:A6 2.8 52.6 1.0 OP2 A:G42 3.0 52.1 1.0 OP1 A:U41 3.1 49.6 1.0 P A:G42 3.1 52.5 1.0 OP1 A:A6 3.1 53.8 1.0 OP1 A:U7 3.1 51.1 1.0 OP2 A:U7 3.2 47.0 1.0 P A:A6 3.4 50.5 1.0 O3' A:U41 3.5 54.0 1.0 P A:U7 3.6 43.6 1.0 O A:HOH219 3.7 57.8 1.0 C5' A:U41 3.7 52.6 1.0 O A:HOH215 3.8 55.6 1.0 O A:HOH201 3.9 47.0 1.0 OP2 A:G8 4.2 51.6 1.0 C3' A:U41 4.2 54.4 1.0 P A:U41 4.3 44.8 1.0 C4' A:U41 4.3 53.8 1.0 O5' A:U41 4.4 51.5 1.0 O3' A:G5 4.4 56.2 1.0 O3' A:A6 4.5 51.3 1.0 O5' A:G42 4.6 57.7 1.0 O5' A:A6 4.6 52.9 1.0 O3' A:A40 4.9 46.0 1.0 O5' A:U7 5.0 47.5 1.0

A.Ren, K.R.Rajashankar, D.J.Patel. Fluoride Ion Encapsulation By MG2+ Ions and Phosphates in A Fluoride Riboswitch. Nature V. 486 85 2012.
ISSN: ISSN 0028-0836
PubMed: 22678284
DOI: 10.1038/NATURE11152