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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 8vax

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 1.42
System mass 10.56 kDa
Deposition year 2023
Molecule type RNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 8vax
Reference Fang Ziyuan, Pazienza Lydia T., Zhang Jian, Tam Chun Pong, Szostak Jack W.. 2024. Catalytic Metal Ion–Substrate Coordination during Nonenzymatic RNA Primer Extension Journal of the American Chemical Society
Equivalence Class NR_all_16232.7
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 DGP
Residue . / 101
Chain E / BBB
Non-redundant True
Interacting RNA chains B/BBB, A/AAA
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/AAA: synthetic construct, B/BBB: synthetic construct
RNA family global synthetic construct
Volume -
Hydrophobicity -
Hydrophilicity -
Buriedness -
Don/acc character -
SiteScore -
D Score -
Kd

Compound DGP
Residue . / 102
Chain F / BBB
Non-redundant True
Interacting RNA chains B/BBB, A/AAA
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/AAA: synthetic construct, B/BBB: synthetic construct
RNA family global synthetic construct
Volume -
Hydrophobicity -
Hydrophilicity -
Buriedness -
Don/acc character -
SiteScore -
D Score -
Kd