NDB ID: 7TZT    PDB ID: 7TZT 

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Title:

CRYSTAL STRUCTURE OF THE E. COLI THIM RIBOSWITCH IN COMPLEX WITH N1,N1-DIMETHYL-N2-(QUINOXALIN-6-YLMETHYL)ETHANE-1,2-DIAMINE (LINKED COMPOUND 37)

Molecular Description:

Deposited:

2022-02-16

Released:

2022-05-25

Nucleic Acid Sequence:

Click to show/hide 1 nucleic acid sequences

Protein Sequence:

No Protein Sequence Found

Primary Citation:

Zeller, M.J., Favorov, O., Li, K., Nuthanakanti, A., Hussein, D., Michaud, A., Lafontaine, D.A., Busan, S., Serganov, A., Aube, J., Weeks, K.M.
SHAPE-enabled fragment-based ligand discovery for RNA. 
Proc.Natl.Acad.Sci.USA, 119, pp. e2122660119 - e2122660119, 2022.

Experimental Information:

X-RAY DIFFRACTION

Space Group:

P 32 1 2

Cell Constants:

a = 61.018   b = 61.018   c = 102.855 (Ångstroms)

α = 90.0   β = 90.0   γ = 120.0 (degrees)

Refinement:

The structure was refined using the PHENIX program. The R value is 0.2445 for 4715 reflections in the resolution range 47.0 to 2.96 Ångstroms with Fobs >  1.36 sigma(Fobs) and with I >  0.0 sigma(I)

Download Data:

Asymmetric Unit coordinates (pdb format, Unix compressed(.gz))

Asymmetric Unit coordinates (cif format, Unix compressed(.gz))

Biological Assembly coordinates (pdb format) 1

Structure Factors (cif format)

Coordinates (pdb format, Unix compressed(.gz))

Coordinates (cif format, Unix compressed(.gz))

NMR Restraints (cif format, Unix compressed(.gz))

XML | Complete with coordinates (xml format, GNU compressed(.gz))

XML | Coordinates only (xml format, GNU compressed(.gz))

XML | Header only (xml format, GNU compressed(.gz))