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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 9ebv

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 2.52
System mass 53.43 kDa
Deposition year 2024
Molecule type RNA
# RNA entities 1
Organism Bacillus
RCSB PDB Entry 9ebv
Reference Spradlin Savannah F, Dickerson Kyle A, Batey Robert T. 2025. Structural and functional clues challenge the hypothesis that the yjdF riboswitch is natively regulated through broad recognition of azaaromatic compounds Nucleic Acids Research
Equivalence Class NR_all_02670.1
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 LUM
Residue . / 109
Chain K / A
Non-redundant True
Interacting RNA chains A/A
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/A: riboswitch
RNA family global riboswitch
Volume 780.67 Å3
Hydrophobicity 0.987
Hydrophilicity 0.997
Buriedness 0.761
Don/acc character 1.824
SiteScore 1.201
D Score 1.071
Kd

Compound LUM
Residue . / 110
Chain U / M
Non-redundant True
Interacting RNA chains B/M
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains B/M: riboswitch
RNA family global riboswitch
Volume 746.71 Å3
Hydrophobicity 1.070
Hydrophilicity 0.916
Buriedness 0.756
Don/acc character 1.538
SiteScore 1.213
D Score 1.095
Kd