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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 5kx9

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 2.90
System mass 36.30 kDa
Deposition year 2016
Molecule type RNA
# RNA entities 1
Organism Fusobacterium
RCSB PDB Entry 5kx9
Reference Howe John A., Xiao Li, Fischmann Thierry O., Wang Hao, Tang Haifeng, Villafania Artjohn, Zhang Rumin, Barbieri Christopher M., Roemer Terry. 2016. Atomic resolution mechanistic studies of ribocil: A highly selective unnatural ligand mimic of the E. coli FMN riboswitch RNA Biology
Equivalence Class NR_all_63890.2
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 6YG
Residue . / 108
Chain J / X
Non-redundant True
Interacting RNA chains B/Y, A/X
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/X: riboswitch, B/Y: riboswitch
RNA family global riboswitch
Volume 813.60 Å3
Hydrophobicity 0.669
Hydrophilicity 1.249
Buriedness 0.809
Don/acc character 0.915
SiteScore 1.224
D Score 1.018
Kd