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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 8r62

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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 Solution NMR
Experimental resolution N/A
System mass 7.38 kDa
Deposition year 2023
Molecule type RNA
# RNA entities 1
Organism Homo
RCSB PDB Entry 8r62
Reference Malard Florian, Wolter Antje C, Marquevielle Julien, Morvan Estelle, Ecoutin Agathe, Rüdisser Simon H, Allain Frédéric H T, Campagne Sebastien. 2024. The diversity of splicing modifiers acting on A-1 bulged 5′-splice sites reveals rules for rational drug design Nucleic Acids Research
Equivalence Class NR_all_79155.3
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 Y59
Residue . / 101
Chain C / A
Non-redundant True
Interacting RNA chains A/A, B/B
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/A: unknown, B/B: unknown
RNA family global unknown
Volume 64.48 Å3
Hydrophobicity 0.057
Hydrophilicity 0.561
Buriedness 0.415
Don/acc character 2.583
SiteScore 1.053
D Score 1.006
Kd