Fluorine in PDB 8fhv: Structure of Lettuce Aptamer Bound to Dfhbi-1T with Thallium I Ions

The structure of Structure of Lettuce Aptamer Bound to Dfhbi-1T with Thallium I Ions, PDB code: 8fhv was solved by L.F.M.Passalacqua, A.R.Ferre-D'amare, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	59.77 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	24.658, 42.821, 119.531, 90, 90, 90
R / Rfree (%)	21.2 / 25.1

The structure of Structure of Lettuce Aptamer Bound to Dfhbi-1T with Thallium I Ions also contains other interesting chemical elements:

Magnesium	(Mg)	4 atoms
Thallium	(Tl)	2 atoms

The binding sites of Fluorine atom in the Structure of Lettuce Aptamer Bound to Dfhbi-1T with Thallium I Ions (pdb code 8fhv). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 5 binding sites of Fluorine where determined in the Structure of Lettuce Aptamer Bound to Dfhbi-1T with Thallium I Ions, PDB code: 8fhv:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5;

Fluorine binding site 1 out of 5 in the Structure of Lettuce Aptamer Bound to Dfhbi-1T with Thallium I Ions


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Lettuce Aptamer Bound to Dfhbi-1T with Thallium I Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:F107 b:40.7 occ:1.00 F8 A:2ZY107 0.0 40.7 1.0 C6 A:2ZY107 1.4 39.6 1.0 C1 A:2ZY107 2.4 40.4 1.0 C5 A:2ZY107 2.4 38.5 1.0 N6 A:DA11 2.8 40.4 1.0 O9 A:2ZY107 2.8 38.0 1.0 C4 A:DC17 3.2 43.3 1.0 N3 A:DC17 3.2 42.3 1.0 C2 A:DC17 3.2 47.8 1.0 C5 A:DC17 3.3 43.7 1.0 C6 A:DC17 3.3 45.3 1.0 N1 A:DC17 3.3 51.7 1.0 N1 A:DG18 3.5 41.6 1.0 C2 A:DG18 3.5 41.1 1.0 C2 A:2ZY107 3.6 44.4 1.0 C4 A:2ZY107 3.6 43.6 1.0 N2 A:DG18 3.8 41.2 1.0 N4 A:DC17 3.9 41.1 1.0 O2 A:DC17 3.9 54.1 1.0 C6 A:DG18 3.9 38.7 1.0 N3 A:DG18 4.0 40.3 1.0 C2' A:DC17 4.1 56.8 1.0 C6 A:DA11 4.1 40.4 1.0 C3 A:2ZY107 4.1 43.5 1.0 C1' A:DC17 4.2 51.4 1.0 C4 A:DG18 4.3 39.2 1.0 C5 A:DG18 4.3 37.8 1.0 O6 A:DG18 4.5 36.3 1.0 F7 A:2ZY107 4.8 39.4 1.0 TL A:TL102 4.8 44.7 0.8 N1 A:DA11 4.8 39.1 1.0 C10 A:2ZY107 4.8 48.7 1.0 N7 A:DG10 4.9 42.1 1.0 O6 A:DG10 5.0 37.9 1.0 N1 A:DG26 5.0 44.7 1.0

Fluorine binding site 2 out of 5 in the Structure of Lettuce Aptamer Bound to Dfhbi-1T with Thallium I Ions


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of Lettuce Aptamer Bound to Dfhbi-1T with Thallium I Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:F107 b:39.4 occ:1.00 F7 A:2ZY107 0.0 39.4 1.0 C4 A:2ZY107 1.4 43.6 1.0 C3 A:2ZY107 2.4 43.5 1.0 C5 A:2ZY107 2.4 38.5 1.0 O9 A:2ZY107 2.8 38.0 1.0 N1 A:DG25 3.0 37.5 1.0 C2 A:DG25 3.0 37.4 1.0 N2 A:DG44 3.0 40.6 1.0 C6 A:DG26 3.4 44.3 1.0 N2 A:DG25 3.4 36.7 1.0 O6 A:DG26 3.5 45.1 1.0 N3 A:DG25 3.5 36.3 1.0 C6 A:DG25 3.5 37.6 1.0 C5 A:DG26 3.5 44.5 1.0 TL A:TL102 3.5 44.7 0.8 O6 A:DG18 3.6 36.3 1.0 C6 A:2ZY107 3.6 39.6 1.0 C2 A:2ZY107 3.6 44.4 1.0 N7 A:DG26 3.7 40.2 1.0 O A:HOH213 3.8 38.2 1.0 C4 A:DG25 3.8 38.0 1.0 C5 A:DG25 3.8 39.4 1.0 N1 A:DG26 4.1 44.7 1.0 C1 A:2ZY107 4.1 40.4 1.0 O6 A:DG25 4.1 35.0 1.0 C4 A:DG26 4.2 45.7 1.0 C6 A:DG18 4.2 38.7 1.0 C2 A:DG44 4.3 39.8 1.0 C8 A:DG26 4.4 41.2 1.0 N7 A:DG18 4.5 40.3 1.0 O A:HOH220 4.6 58.3 1.0 C5 A:DG18 4.6 37.8 1.0 C2 A:DG26 4.7 46.9 1.0 N9 A:DG26 4.7 48.4 1.0 N1 A:DG44 4.7 38.3 1.0 N9 A:DG25 4.7 41.2 1.0 N12 A:2ZY107 4.8 52.5 1.0 F8 A:2ZY107 4.8 40.7 1.0 N3 A:DG26 4.8 48.4 1.0 N7 A:DG25 4.8 36.8 1.0 C10 A:2ZY107 5.0 48.7 1.0

Fluorine binding site 3 out of 5 in the Structure of Lettuce Aptamer Bound to Dfhbi-1T with Thallium I Ions


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of Lettuce Aptamer Bound to Dfhbi-1T with Thallium I Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:F107 b:92.0 occ:1.00 F20 A:2ZY107 0.0 92.0 1.0 C19 A:2ZY107 1.4 72.2 1.0 F21 A:2ZY107 2.2 68.2 1.0 F22 A:2ZY107 2.2 66.9 1.0 C16 A:2ZY107 2.4 65.0 1.0 N14 A:2ZY107 3.5 58.2 1.0 O18 A:2ZY107 4.1 61.4 1.0 C15 A:2ZY107 4.2 58.7 1.0 C13 A:2ZY107 4.7 52.1 1.0 C6 A:DC20 4.8 54.5 1.0 C5 A:DC20 4.8 49.3 1.0 O4' A:DC20 5.0 66.4 1.0

Fluorine binding site 4 out of 5 in the Structure of Lettuce Aptamer Bound to Dfhbi-1T with Thallium I Ions


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structure of Lettuce Aptamer Bound to Dfhbi-1T with Thallium I Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:F107 b:68.2 occ:1.00 F21 A:2ZY107 0.0 68.2 1.0 C19 A:2ZY107 1.4 72.2 1.0 F22 A:2ZY107 2.2 66.9 1.0 F20 A:2ZY107 2.2 92.0 1.0 C16 A:2ZY107 2.4 65.0 1.0 N14 A:2ZY107 2.5 58.2 1.0 C15 A:2ZY107 2.9 58.7 1.0 O18 A:2ZY107 3.0 61.4 1.0 C13 A:2ZY107 3.5 52.1 1.0 C5 A:DC20 3.5 49.3 1.0 C4 A:DC20 3.9 54.8 1.0 C11 A:2ZY107 4.0 50.5 1.0 C6 A:DC20 4.0 54.5 1.0 N4 A:DC20 4.1 55.8 1.0 O4' A:DG19 4.2 51.4 1.0 N12 A:2ZY107 4.2 52.5 1.0 C17 A:2ZY107 4.3 57.0 1.0 C4' A:DG19 4.5 54.0 1.0 C8 A:DG18 4.5 38.9 1.0 N3 A:DC20 4.7 54.8 1.0 N1 A:DC20 4.8 62.5 1.0 C1' A:DG18 4.9 45.1 1.0 C10 A:2ZY107 4.9 48.7 1.0 O4' A:DG18 5.0 43.4 1.0

Fluorine binding site 5 out of 5 in the Structure of Lettuce Aptamer Bound to Dfhbi-1T with Thallium I Ions


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Structure of Lettuce Aptamer Bound to Dfhbi-1T with Thallium I Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:F107 b:66.9 occ:1.00 F22 A:2ZY107 0.0 66.9 1.0 C19 A:2ZY107 1.4 72.2 1.0 F21 A:2ZY107 2.2 68.2 1.0 F20 A:2ZY107 2.2 92.0 1.0 C16 A:2ZY107 2.4 65.0 1.0 C5 A:DC20 3.1 49.3 1.0 C4 A:DC20 3.1 54.8 1.0 N14 A:2ZY107 3.2 58.2 1.0 C6 A:DC20 3.2 54.5 1.0 N3 A:DC20 3.3 54.8 1.0 N1 A:DC20 3.3 62.5 1.0 C2 A:DC20 3.3 59.9 1.0 C17 A:2ZY107 3.6 57.0 1.0 C13 A:2ZY107 3.6 52.1 1.0 N4 A:DC20 3.8 55.8 1.0 O4' A:DC20 4.1 66.4 1.0 O2 A:DC20 4.1 59.4 1.0 C1' A:DC20 4.2 63.5 1.0 C15 A:2ZY107 4.3 58.7 1.0 O18 A:2ZY107 4.7 61.4 1.0 N12 A:2ZY107 4.9 52.5 1.0

L.F.M.Passalacqua, A.R.Ferre-D'amare. Structure of Lettuce Aptamer Bound to Dfhbi-1T with Thallium I Ions To Be Published.