NDB ID: 7TZR    PDB ID: 7TZR 

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Title:

CRYSTAL STRUCTURE OF THE E. COLI THIM RIBOSWITCH BOUND TO N-METHYL-1-(QUINOXALIN-6-YL)METHANAMINE (COMPOUND 16)

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:

C 1 2 1

Cell Constants:

a = 150.156   b = 29.608   c = 95.507 (Ångstroms)

α = 90.0   β = 94.321   γ = 90.0 (degrees)

Refinement:

The structure was refined using the PHENIX program. The R value is 0.2095 for 11382 reflections in the resolution range 29.05 to 2.7 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))