Potassium in PDB 2xo0: Xpt-Pbux C74U Riboswitch From B. Subtilis Bound to 24-Diamino-1,3,5- Triazine Identified By Virtual Screening

The structure of Xpt-Pbux C74U Riboswitch From B. Subtilis Bound to 24-Diamino-1,3,5- Triazine Identified By Virtual Screening, PDB code: 2xo0 was solved by P.Daldrop, F.E.Reyes, D.A.Robinson, C.M.Hammond, D.M.J.Lilley, R.T.Batey, R.Brenk, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	65.46 / 1.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	130.923, 34.940, 42.074, 90.00, 90.11, 90.00
R / Rfree (%)	21.6 / 27.1

The structure of Xpt-Pbux C74U Riboswitch From B. Subtilis Bound to 24-Diamino-1,3,5- Triazine Identified By Virtual Screening also contains other interesting chemical elements:

Cobalt

(Co)

6 atoms

The binding sites of Potassium atom in the Xpt-Pbux C74U Riboswitch From B. Subtilis Bound to 24-Diamino-1,3,5- Triazine Identified By Virtual Screening (pdb code 2xo0). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 5 binding sites of Potassium where determined in the Xpt-Pbux C74U Riboswitch From B. Subtilis Bound to 24-Diamino-1,3,5- Triazine Identified By Virtual Screening, PDB code: 2xo0:
Jump to Potassium binding site number: 1; 2; 3; 4; 5;

Potassium binding site 1 out of 5 in the Xpt-Pbux C74U Riboswitch From B. Subtilis Bound to 24-Diamino-1,3,5- Triazine 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 24-Diamino-1,3,5- Triazine Identified By Virtual Screening within 5.0Å range: probe atom residue distance (Å) B Occ A:K108 b:39.5 occ:1.00 O A:HOH328 2.5 33.8 1.0 OP1 A:C54 3.5 36.5 1.0 OP2 A:C41 3.6 23.0 1.0 O A:HOH283 4.0 21.3 1.0 O A:HOH282 4.1 22.6 1.0 O A:HOH238 4.5 32.3 1.0 P A:C54 4.6 29.3 1.0 O A:HOH274 4.6 35.6 1.0 C5' A:C54 4.7 32.6 1.0 OP2 A:G42 4.7 20.2 1.0 P A:C41 4.8 20.4 1.0 O5' A:C54 5.0 35.3 1.0 OP1 A:C53 5.0 33.1 1.0

Potassium binding site 2 out of 5 in the Xpt-Pbux C74U Riboswitch From B. Subtilis Bound to 24-Diamino-1,3,5- Triazine Identified By Virtual Screening


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Xpt-Pbux C74U Riboswitch From B. Subtilis Bound to 24-Diamino-1,3,5- Triazine Identified By Virtual Screening within 5.0Å range: probe atom residue distance (Å) B Occ A:K109 b:66.2 occ:1.00 O2' A:U74 3.4 35.9 1.0 O2' A:U51 3.4 43.6 1.0 O4' A:U75 3.7 36.4 1.0 C4' A:U75 3.9 37.2 1.0 O4' A:A52 4.0 33.2 1.0 O2 A:U51 4.3 38.9 1.0 C5' A:U75 4.3 37.4 1.0 C2' A:U51 4.4 42.8 1.0 C2' A:U74 4.4 37.2 1.0 C4' A:A52 4.5 34.1 1.0 C1' A:U75 4.6 33.4 1.0 O2 A:U74 4.8 32.4 1.0 O2' A:U75 4.8 35.2 1.0 C1' A:U51 4.9 42.4 1.0 C5' A:A52 4.9 36.1 1.0 C1' A:A52 5.0 32.2 1.0

Potassium binding site 3 out of 5 in the Xpt-Pbux C74U Riboswitch From B. Subtilis Bound to 24-Diamino-1,3,5- Triazine Identified By Virtual Screening


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Xpt-Pbux C74U Riboswitch From B. Subtilis Bound to 24-Diamino-1,3,5- Triazine Identified By Virtual Screening within 5.0Å range: probe atom residue distance (Å) B Occ A:K112 b:65.8 occ:1.00 O2 A:C50 4.0 44.9 1.0 O2' A:C50 4.1 49.3 1.0 C2' A:C50 4.7 48.6 1.0 O4' A:U51 5.0 43.3 1.0

Potassium binding site 4 out of 5 in the Xpt-Pbux C74U Riboswitch From B. Subtilis Bound to 24-Diamino-1,3,5- Triazine Identified By Virtual Screening


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Xpt-Pbux C74U Riboswitch From B. Subtilis Bound to 24-Diamino-1,3,5- Triazine Identified By Virtual Screening within 5.0Å range: probe atom residue distance (Å) B Occ A:K113 b:42.4 occ:1.00 O2' A:U20 3.8 38.4 1.0 OP1 A:U48 4.0 43.5 1.0 O4 A:U49 4.1 35.5 1.0 C4 A:U49 4.6 36.5 1.0 C5 A:U49 4.7 37.0 1.0 C2' A:U20 4.9 37.7 1.0 O2 A:U20 4.9 33.8 1.0

Potassium binding site 5 out of 5 in the Xpt-Pbux C74U Riboswitch From B. Subtilis Bound to 24-Diamino-1,3,5- Triazine Identified By Virtual Screening


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 5 of Xpt-Pbux C74U Riboswitch From B. Subtilis Bound to 24-Diamino-1,3,5- Triazine Identified By Virtual Screening within 5.0Å range: probe atom residue distance (Å) B Occ A:K114 b:39.4 occ:1.00 O4 A:U36 4.1 20.3 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