Fluorine in PDB 4en5: Crystal Structure of Fluoride Riboswitch, Tl-Acetate Soaked

The structure of Crystal Structure of Fluoride Riboswitch, Tl-Acetate Soaked, PDB code: 4en5 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)	19.36 / 2.96
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	58.205, 77.287, 42.597, 90.00, 90.00, 90.00
R / Rfree (%)	22.9 / 27.1

The structure of Crystal Structure of Fluoride Riboswitch, Tl-Acetate Soaked also contains other interesting chemical elements:

Magnesium	(Mg)	9 atoms
Thallium	(Tl)	6 atoms

The binding sites of Fluorine atom in the Crystal Structure of Fluoride Riboswitch, Tl-Acetate Soaked (pdb code 4en5). 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, Tl-Acetate Soaked, PDB code: 4en5:

Fluorine binding site 1 out of 1 in the Crystal Structure of Fluoride Riboswitch, Tl-Acetate Soaked


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, Tl-Acetate Soaked within 5.0Å range: probe atom residue distance (Å) B Occ A:F110 b:67.4 occ:1.00 MG A:MG102 1.8 60.4 1.0 MG A:MG103 1.8 61.7 1.0 MG A:MG104 1.9 72.4 1.0 O A:HOH203 2.0 66.1 1.0 O A:HOH214 2.1 65.9 1.0 OP1 A:A6 2.2 65.5 1.0 OP2 A:A6 2.6 66.5 1.0 OP1 A:G42 2.6 64.8 1.0 P A:A6 2.8 58.3 1.0 OP1 A:U7 2.8 67.2 1.0 OP2 A:U7 2.8 59.2 1.0 OP2 A:G42 3.1 62.4 1.0 P A:G42 3.2 61.8 1.0 P A:U7 3.2 56.2 1.0 O A:HOH215 3.3 60.5 1.0 OP1 A:U41 3.5 61.9 1.0 O A:HOH217 3.6 57.6 1.0 TL A:TL116 3.7 0.6 1.0 O3' A:U41 3.8 66.3 1.0 O A:HOH226 4.0 81.5 1.0 O3' A:G5 4.0 67.1 1.0 O5' A:A6 4.0 60.9 1.0 O3' A:A6 4.0 63.1 1.0 OP2 A:G8 4.1 60.2 1.0 C5' A:U41 4.5 64.0 1.0 C3' A:G5 4.7 72.4 1.0 O5' A:U7 4.7 56.5 1.0 O5' A:G42 4.7 68.9 1.0 C3' A:U41 4.8 66.1 1.0 C3' A:A6 4.8 62.2 1.0 P A:U41 4.8 56.5 1.0 C4' A:U41 5.0 65.6 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