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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 8fza

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 2.30
System mass 19.65 kDa
Deposition year 2023
Molecule type RNA
# RNA entities 1
Organism Escherichia
RCSB PDB Entry 8fza
Reference Schroeder Griffin M., Kiliushik Daniil, Jenkins Jermaine L., Wedekind Joseph E.. 2023. Structure and function analysis of a type III preQ1-I riboswitch from Escherichia coli reveals direct metabolite sensing by the Shine-Dalgarno sequence Journal of Biological Chemistry
Equivalence Class NR_all_04796.1, NR_all_17339.1
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 PRF
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: riboswitch
RNA family global riboswitch
Volume 246.96 Å3
Hydrophobicity 0.816
Hydrophilicity 1.065
Buriedness 0.782
Don/acc character 0.998
SiteScore 1.133
D Score 0.968
Kd

Compound PRF
Residue . / 101
Chain F / B
Non-redundant False
Interacting RNA chains B/B
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains B/B: riboswitch
RNA family global riboswitch
Volume 227.41 Å3
Hydrophobicity 0.452
Hydrophilicity 1.058
Buriedness 0.770
Don/acc character 1.235
SiteScore 1.060
D Score 0.881
Kd