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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 3f4e

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 3.05
System mass 36.36 kDa
Deposition year 2008
Molecule type RNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 3f4e
Reference Serganov Alexander, Huang Lili, Patel Dinshaw J.. 2009. Coenzyme recognition and gene regulation by a flavin mononucleotide riboswitch Nature
Equivalence Class NR_all_63890.2
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 FMN
Residue . / 200
Chain N / Y
Non-redundant True
Interacting RNA chains A/X, B/Y
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/X: riboswitch, B/Y: riboswitch
RNA family global riboswitch
Volume 854.76 Å3
Hydrophobicity 0.752
Hydrophilicity 1.204
Buriedness 0.800
Don/acc character 0.759
SiteScore 1.218
D Score 1.027
Kd