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NDB ID: NA1043    PDB ID: 2XNZ 


Title:

XPT-PBUX C74U RIBOSWITCH FROM B. SUBTILIS BOUND TO ACETOGUANAMINE IDENTIFIED BY VIRTUAL SCREENING

Molecular Description:

65-MER
6-METHYL-1
3
5-TRIAZINE-2
4-DIAMINE

Structural Keywords:

B DOUBLE HELIX, HAIRPIN LOOP, BULGES

Nucleic Acid Sequence:

Click to show/hide 1 nucleic acid sequences

Protein Sequence:

No Protein Sequence Found

Primary Citation:

Daldrop, P., Reyes, F.E., Robinson, D.A., Hammond, C.M., Lilley, D.M.J., Batey, R.T., Brenk, R.
Novel Ligands for a Purine Riboswitch Discovered by RNA-Ligand Docking 
Chem.Biol., 18, pp. 324 - 335, 2011.

Experimental Information:

X-RAY DIFFRACTION

Space Group:

C 1 2 1

Cell Constants:

a = 132.165   b = 35.068   c = 41.798 (Ångstroms)

α = 90.0   β = 90.06   γ = 90.0 (degrees)

Refinement:

The structure was refined using the REFMAC 5.5.0109 program. The R value is 0.19968 for 23956 reflections in the resolution range 66.08 to 1.59 Ångstroms with Fobs >  0.0 sigma(Fobs) and with I >  0.0 sigma(I)