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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 6jjh

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 1.74
System mass 6.05 kDa
Deposition year 2019
Molecule type RNA
# RNA entities 1
Organism Varicellovirus
RCSB PDB Entry 6jjh
Reference Zhang Yashu, El Omari Kamel, Duman Ramona, Liu Sisi, Haider Shozeb, Wagner Armin, Parkinson Gary N, Wei Dengguo. 2020. Native de novo structural determinations of non-canonical nucleic acid motifs by X-ray crystallography at long wavelengths Nucleic Acids Research
Equivalence Class NR_all_07071.1
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 POH
Residue . / 101
Chain B / B
Non-redundant True
Interacting RNA chains A/B
RNA environment detailled ion, other
RNA environment global RNA/Other
RNA family chains A/B: unknown
RNA family global unknown
Volume 133.08 Å3
Hydrophobicity 0.448
Hydrophilicity 0.666
Buriedness 0.475
Don/acc character 2.282
SiteScore 0.863
D Score 0.739
Kd

Compound POH
Residue . / 102
Chain C / B
Non-redundant True
Interacting RNA chains A/B
RNA environment detailled other
RNA environment global RNA/Other
RNA family chains A/B: unknown
RNA family global unknown
Volume 25.38 Å3
Hydrophobicity 0.000
Hydrophilicity 0.487
Buriedness 0.327
Don/acc character 2.082
SiteScore 0.595
D Score 0.447
Kd