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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 7oa3

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 36.93 kDa
Deposition year 2021
Molecule type RNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 7oa3
Reference Mieczkowski Mateusz, Steinmetzger Christian, Bessi Irene, Lenz Ann-Kathrin, Schmiedel Alexander, Holzapfel Marco, Lambert Christoph, Pena Vladimir, Höbartner Claudia. 2021. Large Stokes shift fluorescence activation in an RNA aptamer by intermolecular proton transfer to guanine Nature Communications
Equivalence Class NR_all_84656.3
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 V5Z
Residue . / 101
Chain C / A
Non-redundant True
Interacting RNA chains A/A
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/A: aptamer_rna
RNA family global aptamer_rna
Volume 410.91 Å3
Hydrophobicity 0.904
Hydrophilicity 0.919
Buriedness 0.717
Don/acc character 1.407
SiteScore 1.186
D Score 1.070
Kd

Compound V5Z
Residue . / 101
Chain K / B
Non-redundant False
Interacting RNA chains B/B
RNA environment detailled ion
RNA environment global RNA
RNA family chains B/B: aptamer_rna
RNA family global aptamer_rna
Volume 394.11 Å3
Hydrophobicity 1.144
Hydrophilicity 0.859
Buriedness 0.713
Don/acc character 1.342
SiteScore 1.195
D Score 1.087
Kd