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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 7szu

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 2.24
System mass 69.06 kDa
Deposition year 2021
Molecule type RNA/Protein
# RNA entities 1
Organism N/A
RCSB PDB Entry 7szu
Reference Rees Huw C., Gogacz Wojciech, Li Nan-Sheng, Koirala Deepak, Piccirilli Joseph A.. 2022. Structural Basis for Fluorescence Activation by Pepper RNA ACS Chemical Biology
Equivalence Class NR_all_80237.3
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 J8F
Residue . / 103
Chain F / R
Non-redundant True
Interacting RNA chains A/R
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/R: aptamer_rna
RNA family global aptamer_rna
Volume 184.88 Å3
Hydrophobicity 1.062
Hydrophilicity 0.780
Buriedness 0.670
Don/acc character 3.170
SiteScore 1.092
D Score 0.973
Kd