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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4ts0

Legend

Pocket colors by molecule type

 RNA

 Protein

 DNA

These colors appear when a pocket is selected (the structure fades to show the pocket surface). Colors from the molecule-type palette (RNA / protein / DNA).

System information

Experimental technique X-ray
Experimental resolution 2.80
System mass 31.77 kDa
Deposition year 2014
Molecule type RNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 4ts0
Reference Warner Katherine Deigan, Chen Michael C, Song Wenjiao, Strack Rita L, Thorn Andrea, Jaffrey Samie R, Ferré-D'Amaré Adrian R. 2014. Structural basis for activity of highly efficient RNA mimics of green fluorescent protein Nature Structural & Molecular Biology
Equivalence Class NR_all_80828.3
BGSU version: 4.52

Pockets List

Legend

Cell colors for SiteScore and D Score:

 Favourable

 Intermediate

 Unfavourable

 Not available

ScoreThresholdMeaning
SiteScore< 0.8Non-drug binding site
SiteScore0.8 – 1.0Potential drug binding site
SiteScore> 1.0Promising binding site
D Score< 0.83Undruggable
D Score0.83 – 0.98Difficult
D Score> 0.98Druggable

Tick a pocket below to highlight it in the 3D structure above.

Compound 38E
Residue . / 206
Chain R / Y
Non-redundant True
Interacting RNA chains B/Y, A/X
RNA environment detailled ion, other
RNA environment global RNA/Other
RNA family chains A/X: aptamer_rna, B/Y: aptamer_rna
RNA family global aptamer_rna
Volume 337.51 Å3
Hydrophobicity 0.713
Hydrophilicity 0.901
Buriedness 0.692
Don/acc character 2.348
SiteScore 1.139
D Score 1.018
Kd 530nM