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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 9avr

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 1.91
System mass 50.97 kDa
Deposition year 2024
Molecule type RNA/Protein
# RNA entities 1
Organism Homo
RCSB PDB Entry 9avr
Reference Naineni Sai Kiran, Bhatt Garvit, Jiramongkolsiri Ekkanat, Robert Francis, Cencic Regina, Huang Sidong, Nagar Bhushan, Pelletier Jerry. 2024. Protein–RNA interactions mediated by silvestrol—insight into a unique molecular clamp Nucleic Acids Research
Equivalence Class NR_all_45897.2
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 A1AG8
Residue . / 101
Chain G / B
Non-redundant False
Interacting RNA chains B/B
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains B/B: unknown
RNA family global unknown
Volume 213.00 Å3
Hydrophobicity 1.192
Hydrophilicity 0.498
Buriedness 0.604
Don/acc character 1.376
SiteScore 0.952
D Score 1.025
Kd