Fluorine in PDB 6bfb: Crystal Structure of A F. Nucleatum Fmn Riboswitch Bound to Wg-3

The structure of Crystal Structure of A F. Nucleatum Fmn Riboswitch Bound to Wg-3, PDB code: 6bfb was solved by N.F.Rizvi, T.O.Fischmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.41 / 2.82
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	71.130, 71.130, 141.190, 90.00, 90.00, 120.00
R / Rfree (%)	20.3 / 24.3

The structure of Crystal Structure of A F. Nucleatum Fmn Riboswitch Bound to Wg-3 also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Fluorine atom in the Crystal Structure of A F. Nucleatum Fmn Riboswitch Bound to Wg-3 (pdb code 6bfb). 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 A F. Nucleatum Fmn Riboswitch Bound to Wg-3, PDB code: 6bfb:

Fluorine binding site 1 out of 1 in the Crystal Structure of A F. Nucleatum Fmn Riboswitch Bound to Wg-3


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 A F. Nucleatum Fmn Riboswitch Bound to Wg-3 within 5.0Å range: probe atom residue distance (Å) B Occ X:F500 b:97.7 occ:1.00 F X:DKM500 0.0 97.7 1.0 C7 X:DKM500 1.3 97.0 1.0 C8 X:DKM500 2.3 97.1 1.0 C6 X:DKM500 2.4 98.0 1.0 H7 X:DKM500 2.4 0.2 1.0 H8 X:DKM500 2.5 0.9 1.0 H13 X:DKM500 2.5 98.5 1.0 C3 X:DKM500 2.7 0.9 1.0 N1 X:DKM500 2.9 0.2 1.0 N9 X:A48 3.0 99.0 1.0 C8 X:A48 3.1 0.6 1.0 C4 X:A48 3.2 98.7 1.0 C5 X:A48 3.3 0.6 1.0 N7 X:A48 3.3 0.4 1.0 C2 X:G47 3.3 85.7 1.0 N3 X:G47 3.4 87.4 1.0 N1 X:G47 3.5 85.7 1.0 C4 X:G47 3.6 88.4 1.0 C9 X:DKM500 3.6 97.1 1.0 C17 X:DKM500 3.6 94.5 1.0 C5 X:G47 3.7 88.1 1.0 C1' X:A48 3.7 98.7 1.0 C6 X:G47 3.8 87.7 1.0 N3 X:A48 3.8 96.2 1.0 N2 X:G47 3.9 84.2 1.0 C6 X:A48 4.1 0.2 1.0 C18 X:DKM500 4.1 95.0 1.0 C4 X:DKM500 4.1 0.7 1.0 O4' X:A48 4.1 99.8 1.0 C2 X:DKM500 4.2 1.0 1.0 H4 X:DKM500 4.2 0.7 1.0 H10 X:DKM500 4.3 0.9 1.0 N9 X:G47 4.3 90.7 1.0 C2 X:A48 4.4 95.7 1.0 O6 X:G47 4.5 89.1 1.0 H5 X:DKM500 4.5 0.8 1.0 N1 X:A48 4.6 97.3 1.0 N7 X:G47 4.6 89.0 1.0 H6 X:DKM500 4.7 0.8 1.0 C5 X:DKM500 4.7 0.1 1.0 C1 X:DKM500 4.8 0.5 1.0 C2' X:G47 4.8 97.0 1.0 C10 X:DKM500 4.8 0.1 1.0 N2 X:DKM500 4.8 89.8 1.0 C8 X:G47 4.8 90.9 1.0 N6 X:A48 4.9 0.7 1.0 H18 X:DKM500 4.9 92.3 1.0 H9 X:DKM500 4.9 0.3 1.0 N X:DKM500 5.0 0.2 1.0

N.F.Rizvi, J.A.Howe, A.Nahvi, D.J.Klein, T.O.Fischmann, H.Y.Kim, M.A.Mccoy, S.S.Walker, A.Hruza, M.P.Richards, C.Chamberlin, P.Saradjian, M.T.Butko, G.Mercado, J.Burchard, C.Strickland, P.J.Dandliker, G.F.Smith, E.B.Nickbarg. Discovery of Selective Rna-Binding Small Molecules By Affinity-Selection Mass Spectrometry. Acs Chem. Biol. V. 13 820 2018.
ISSN: ESSN 1554-8937
PubMed: 29412640
DOI: 10.1021/ACSCHEMBIO.7B01013