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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 8sx6

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 1.45
System mass 10.15 kDa
Deposition year 2023
Molecule type RNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 8sx6
Reference Dantsu Yuliya, Zhang Ying, Zhang Wen. 2023. Insight into the structures of unusual base pairs in RNA complexes containing a primer/template/adenosine ligand RSC Chemical Biology
Equivalence Class NR_all_11108.3
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 5GP
Residue . / 101
Chain D / B
Non-redundant True
Interacting RNA chains A/A, B/B
RNA environment detailled other
RNA environment global RNA/Other
RNA family chains A/A: synthetic construct, B/B: synthetic construct
RNA family global synthetic construct
Volume 26.41 Å3
Hydrophobicity 0.162
Hydrophilicity 0.979
Buriedness 0.519
Don/acc character 1.477
SiteScore 0.423
D Score 0.331
Kd

Compound 5GP
Residue . / 103
Chain F / B
Non-redundant True
Interacting RNA chains A/A, B/B
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/A: synthetic construct, B/B: synthetic construct
RNA family global synthetic construct
Volume -
Hydrophobicity -
Hydrophilicity -
Buriedness -
Don/acc character -
SiteScore -
D Score -
Kd

Compound AMP
Residue . / 102
Chain E / B
Non-redundant True
Interacting RNA chains B/B
RNA environment detailled other
RNA environment global RNA/Other
RNA family chains B/B: synthetic construct
RNA family global synthetic construct
Volume -
Hydrophobicity -
Hydrophilicity -
Buriedness -
Don/acc character -
SiteScore -
D Score -
Kd