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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 1fmn

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 Solution NMR
Experimental resolution N/A
System mass 11.81 kDa
Deposition year 1995
Molecule type RNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 1fmn
Reference Fan Pei, Suri Asif K., Fiala Radovan, Live David, Patel Dinshaw J.. 1996. Molecular Recognition in the FMN – RNA Aptamer Complex Journal of Molecular Biology
Equivalence Class NR_all_78289.1
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 FMN
Residue . / 36
Chain B / A
Non-redundant True
Interacting RNA chains A/A
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/A: aptamer_rna
RNA family global aptamer_rna
Volume 177.33 Å3
Hydrophobicity 0.646
Hydrophilicity 0.839
Buriedness 0.627
Don/acc character 1.496
SiteScore 0.976
D Score 0.831
Kd