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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 8dh4

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 2.80
System mass 445.25 kDa
Deposition year 2022
Molecule type RNA/DNA/Protein
# RNA entities 1
Organism N/A
RCSB PDB Entry 8dh4
Reference Oh Juntaek, Kimoto Michiko, Xu Haoqing, Chong Jenny, Hirao Ichiro, Wang Dong. 2023. Structural basis of transcription recognition of a hydrophobic unnatural base pair by T7 RNA polymerase Nature Communications

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 S96
Residue . / 901
Chain Q / B
Non-redundant True
Interacting RNA chains C/C
RNA environment detailled DNA, protein, ion
RNA environment global RNA/DNA/Protein
RNA family chains C/C: synthetic construct
RNA family global synthetic construct
Volume 602.65 Å3
Hydrophobicity 0.588
Hydrophilicity 1.063
Buriedness 0.823
Don/acc character 0.732
SiteScore 1.084
D Score 1.088
Kd

Compound S96
Residue . / 901
Chain S / E
Non-redundant True
Interacting RNA chains G/G
RNA environment detailled DNA, protein, ion
RNA environment global RNA/DNA/Protein
RNA family chains G/G: synthetic construct
RNA family global synthetic construct
Volume 431.84 Å3
Hydrophobicity 0.173
Hydrophilicity 1.185
Buriedness 0.764
Don/acc character 0.681
SiteScore 1.044
D Score 1.012
Kd