Fluorine in PDB 3vrs: Crystal Structure of Fluoride Riboswitch, Soaked in MN2+

The structure of Crystal Structure of Fluoride Riboswitch, Soaked in MN2+, PDB code: 3vrs 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)	19.78 / 2.60
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	57.846, 77.203, 42.094, 90.00, 90.00, 90.00
R / Rfree (%)	22 / 26.2

The structure of Crystal Structure of Fluoride Riboswitch, Soaked in MN2+ also contains other interesting chemical elements:

Potassium	(K)	1 atom
Manganese	(Mn)	9 atoms

The binding sites of Fluorine atom in the Crystal Structure of Fluoride Riboswitch, Soaked in MN2+ (pdb code 3vrs). 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 MN2+, PDB code: 3vrs:

Fluorine binding site 1 out of 1 in the Crystal Structure of Fluoride Riboswitch, Soaked in MN2+


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 MN2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:F111 b:46.2 occ:1.00 MN A:MN102 2.1 49.9 1.0 MN A:MN101 2.2 49.0 1.0 MN A:MN103 2.3 43.8 1.0 OP1 A:G42 2.9 53.7 1.0 O A:HOH203 3.0 39.4 1.0 OP2 A:G42 3.0 54.7 1.0 O A:HOH213 3.0 51.7 1.0 O A:HOH201 3.0 48.4 1.0 O A:HOH211 3.0 42.4 1.0 OP2 A:U7 3.1 51.2 1.0 P A:G42 3.2 56.6 1.0 OP1 A:U41 3.2 50.6 1.0 OP1 A:U7 3.2 42.5 1.0 OP2 A:A6 3.2 48.0 1.0 OP1 A:A6 3.3 49.4 1.0 O3' A:U41 3.4 53.2 1.0 C5' A:U41 3.5 55.4 1.0 P A:U7 3.6 44.2 1.0 P A:A6 3.7 47.3 1.0 OP2 A:G8 4.1 52.2 1.0 C4' A:U41 4.2 58.3 1.0 O5' A:U41 4.2 49.6 1.0 C3' A:U41 4.2 55.6 1.0 P A:U41 4.2 49.5 1.0 O A:HOH202 4.3 46.8 1.0 O A:HOH204 4.4 49.2 1.0 O3' A:A6 4.6 50.3 1.0 K A:K110 4.6 67.6 1.0 O3' A:A40 4.7 51.0 1.0 O5' A:G42 4.7 67.7 1.0 O3' A:G5 4.8 57.9 1.0 O A:HOH217 4.9 58.7 1.0 O5' A:U7 4.9 51.8 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