Thallium in PDB 6dls: Prpp Riboswitch Bound to Prpp, Thallium Acetate Soaked Structure

The structure of Prpp Riboswitch Bound to Prpp, Thallium Acetate Soaked Structure, PDB code: 6dls was solved by A.Peselis, A.Serganov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.35 / 2.89
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	85.220, 91.977, 75.058, 90.00, 122.80, 90.00
R / Rfree (%)	20.7 / 23.5

The structure of Prpp Riboswitch Bound to Prpp, Thallium Acetate Soaked Structure also contains other interesting chemical elements:

Magnesium

(Mg)

3 atoms

The binding sites of Thallium atom in the Prpp Riboswitch Bound to Prpp, Thallium Acetate Soaked Structure (pdb code 6dls). This binding sites where shown within 5.0 Angstroms radius around Thallium atom.
In total only one binding site of Thallium was determined in the Prpp Riboswitch Bound to Prpp, Thallium Acetate Soaked Structure, PDB code: 6dls:

Thallium binding site 1 out of 1 in the Prpp Riboswitch Bound to Prpp, Thallium Acetate Soaked Structure


Mono view


Stereo pair view

A full contact list of Thallium with other atoms in the Tl binding site number 1 of Prpp Riboswitch Bound to Prpp, Thallium Acetate Soaked Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Tl202 b:0.5 occ:0.37 O3' A:U84 2.8 93.4 1.0 OP1 A:A85 3.2 0.4 1.0 N7 A:A85 3.3 80.6 1.0 O2' A:U84 3.3 95.0 1.0 C8 A:A85 3.4 79.9 1.0 P A:A85 3.5 98.6 1.0 O5' A:A85 3.7 87.9 1.0 C3' A:U84 3.9 89.2 1.0 C2' A:U84 4.0 86.6 1.0 C5 A:A85 4.6 79.1 1.0 N9 A:A85 4.7 80.2 1.0 C4' A:U84 4.8 93.0 1.0 OP2 A:A85 4.9 95.9 1.0

A.Peselis, A.Serganov. Ykkc Riboswitches Employ An Add-on Helix to Adjust Specificity For Polyanionic Ligands. Nat. Chem. Biol. V. 14 887 2018.
ISSN: ESSN 1552-4469
PubMed: 30120360
DOI: 10.1038/S41589-018-0114-4