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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 8vy1

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 3.10
System mass 37.57 kDa
Deposition year 2024
Molecule type RNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 8vy1
Reference Yang Mo, Prestwood Peri R., Passalacqua Luiz F. M., Balaratnam Sumirtha, Fullenkamp Christopher R., Arney J. Winston, Weeks Kevin M., Ferre-D’Amare Adrian, Schneekloth John S.. 2025. Structure-informed design of an ultrabright RNA-activated fluorophore Nature Chemistry
Equivalence Class NR_all_82829.3
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 A1AEF
Residue . / 106
Chain I / A
Non-redundant True
Interacting RNA chains A/A
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/A: aptamer_rna
RNA family global aptamer_rna
Volume 370.10 Å3
Hydrophobicity 0.678
Hydrophilicity 0.677
Buriedness 0.637
Don/acc character 3.382
SiteScore 1.179
D Score 1.101
Kd

Compound A1AEF
Residue . / 103
Chain L / B
Non-redundant False
Interacting RNA chains B/B
RNA environment detailled ion
RNA environment global RNA
RNA family chains B/B: aptamer_rna
RNA family global aptamer_rna
Volume 385.19 Å3
Hydrophobicity 0.690
Hydrophilicity 0.731
Buriedness 0.625
Don/acc character 3.582
SiteScore 1.161
D Score 1.076
Kd

Compound A1AEF
Residue . / 104
Chain P / C
Non-redundant False
Interacting RNA chains C/C
RNA environment detailled ion
RNA environment global RNA
RNA family chains C/C: aptamer_rna
RNA family global aptamer_rna
Volume -
Hydrophobicity -
Hydrophilicity -
Buriedness -
Don/acc character -
SiteScore -
D Score -
Kd