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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 8k85

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 2.95
System mass 37.50 kDa
Deposition year 2023
Molecule type RNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 8k85
Equivalence Class NR_all_51609.1
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 A1EBI
Residue . / 101
Chain C / A
Non-redundant True
Interacting RNA chains A/A, B/B
RNA environment detailled ion, other
RNA environment global RNA/Other
RNA family chains A/A: aptamer_rna, B/B: aptamer_rna
RNA family global aptamer_rna
Volume 454.13 Å3
Hydrophobicity 0.474
Hydrophilicity 0.890
Buriedness 0.631
Don/acc character 1.842
SiteScore 1.134
D Score 1.028
Kd

Compound A1EBI
Residue . / 101
Chain J / B
Non-redundant True
Interacting RNA chains A/A, B/B
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/A: aptamer_rna, B/B: aptamer_rna
RNA family global aptamer_rna
Volume 167.04 Å3
Hydrophobicity 0.376
Hydrophilicity 1.007
Buriedness 0.616
Don/acc character 0.850
SiteScore 0.780
D Score 0.811
Kd