Thallium 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:

Fluorine	(F)	5 atoms
Magnesium	(Mg)	4 atoms

The binding sites of Thallium 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 Thallium atom.
In total 2 binding sites of Thallium where determined in the Structure of Lettuce Aptamer Bound to Dfhbi-1T with Thallium I Ions, PDB code: 8fhv:
Jump to Thallium binding site number: 1; 2;

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


Mono view


Stereo pair view

A full contact list of Thallium with other atoms in the Tl 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:Tl101 b:36.0 occ:0.50 O6 A:DG9 2.6 37.1 1.0 O6 A:DG24 2.7 34.4 1.0 O6 A:DG45 2.8 36.8 1.0 O6 A:DG19 2.8 36.1 1.0 O6 A:DG25 2.8 35.0 1.0 O6 A:DG10 2.8 37.9 1.0 O6 A:DG46 3.0 37.2 1.0 O6 A:DG18 3.0 36.3 1.0 N2 A:DG8 3.4 35.3 1.0 C6 A:DG9 3.5 38.2 1.0 C6 A:DG24 3.5 34.3 1.0 C6 A:DG45 3.6 36.7 1.0 C6 A:DG19 3.7 35.9 1.0 TL A:TL102 3.7 44.7 0.8 C6 A:DG10 3.7 39.1 1.0 N1 A:DG24 3.7 34.6 1.0 N1 A:DG9 3.7 38.1 1.0 N1 A:DG19 3.8 35.2 1.0 C6 A:DG25 3.8 37.6 1.0 C6 A:DG46 3.8 38.8 1.0 C6 A:DG18 3.8 38.7 1.0 N1 A:DG45 3.8 36.0 1.0 N1 A:DG10 3.9 40.1 1.0 N1 A:DG46 3.9 37.8 1.0 N1 A:DG25 4.1 37.5 1.0 N1 A:DG18 4.1 41.6 1.0 C2 A:DG8 4.2 38.4 1.0 C5 A:DG24 4.7 34.5 1.0 C5 A:DG9 4.7 40.1 1.0 C5 A:DG45 4.7 40.3 1.0 N1 A:DG8 4.8 35.1 1.0 N3 A:DG8 4.8 36.0 1.0 C5 A:DG18 4.9 37.8 1.0 C2 A:DG24 4.9 35.0 1.0

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


Mono view


Stereo pair view

A full contact list of Thallium with other atoms in the Tl 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:Tl102 b:44.7 occ:0.85 O9 A:2ZY107 2.4 38.0 1.0 N1 A:DA11 2.7 39.1 1.0 O6 A:DG18 2.9 36.3 1.0 O6 A:DG25 2.9 35.0 1.0 O6 A:DG45 2.9 36.8 1.0 O A:HOH220 3.1 58.3 1.0 O6 A:DG10 3.1 37.9 1.0 C5 A:2ZY107 3.4 38.5 1.0 C2 A:DA11 3.5 40.3 1.0 C6 A:DG25 3.5 37.6 1.0 F7 A:2ZY107 3.5 39.4 1.0 C6 A:DA11 3.6 40.4 1.0 C6 A:DG45 3.6 36.7 1.0 N6 A:DA11 3.6 40.4 1.0 O A:HOH213 3.7 38.2 1.0 TL A:TL101 3.7 36.0 0.5 N1 A:DG45 3.7 36.0 1.0 C6 A:DG10 3.8 39.1 1.0 C6 A:DG18 3.8 38.7 1.0 C4 A:2ZY107 3.9 43.6 1.0 N1 A:DG25 3.9 37.5 1.0 N1 A:DG10 4.0 40.1 1.0 N1 A:DG18 4.1 41.6 1.0 N2 A:DG44 4.5 40.6 1.0 C5 A:DG25 4.5 39.4 1.0 C6 A:2ZY107 4.5 39.6 1.0 F8 A:2ZY107 4.8 40.7 1.0 N3 A:DA11 4.8 44.4 1.0 C5 A:DA11 4.9 42.3 1.0 C5 A:DG10 4.9 41.0 1.0 C5 A:DG45 4.9 40.3 1.0 C2 A:DG45 4.9 39.4 1.0 N3 A:DT12 5.0 40.9 1.0 C2 A:DG25 5.0 37.4 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.