Potassium in PDB 2xnw: Xpt-Pbux C74U Riboswitch From B. Subtilis Bound to A Triazolo- Triazole-Diamine Ligand Identified By Virtual Screening

The structure of Xpt-Pbux C74U Riboswitch From B. Subtilis Bound to A Triazolo- Triazole-Diamine Ligand Identified By Virtual Screening, PDB code: 2xnw was solved by P.Daldrop, F.E.Reyes, D.A.Robinson, C.M.Hammond, D.M.J.Lilley, R.Brenk, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	67.90 / 1.50
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	135.895, 35.380, 42.197, 90.00, 92.19, 90.00
R / Rfree (%)	21.3 / 24.4

The structure of Xpt-Pbux C74U Riboswitch From B. Subtilis Bound to A Triazolo- Triazole-Diamine Ligand Identified By Virtual Screening also contains other interesting chemical elements:

Cobalt

(Co)

7 atoms

The binding sites of Potassium atom in the Xpt-Pbux C74U Riboswitch From B. Subtilis Bound to A Triazolo- Triazole-Diamine Ligand Identified By Virtual Screening (pdb code 2xnw). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total only one binding site of Potassium was determined in the Xpt-Pbux C74U Riboswitch From B. Subtilis Bound to A Triazolo- Triazole-Diamine Ligand Identified By Virtual Screening, PDB code: 2xnw:

Potassium binding site 1 out of 1 in the Xpt-Pbux C74U Riboswitch From B. Subtilis Bound to A Triazolo- Triazole-Diamine Ligand Identified By Virtual Screening


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Xpt-Pbux C74U Riboswitch From B. Subtilis Bound to A Triazolo- Triazole-Diamine Ligand Identified By Virtual Screening within 5.0Å range: probe atom residue distance (Å) B Occ A:K1090 b:20.1 occ:1.00 O A:HOH2276 2.3 42.0 1.0 O A:HOH2007 3.6 33.3 1.0 O A:HOH2052 4.0 34.5 1.0 O A:HOH2280 4.0 24.2 1.0 OP1 A:A24 4.1 21.3 1.0 OP2 A:C71 4.2 12.5 1.0 O A:HOH2281 4.3 22.0 1.0 O A:HOH2283 4.6 18.2 1.0

P.Daldrop, F.E.Reyes, D.A.Robinson, C.M.Hammond, D.M.Lilley, R.T.Batey, R.Brenk. Novel Ligands For A Purine Riboswitch Discovered By Rna-Ligand Docking. Chem. Biol. V. 18 324 2011.
ISSN: ISSN 1879-1301
PubMed: 21439477
DOI: 10.1016/J.CHEMBIOL.2010.12.020