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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 2kx8

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 13.62 kDa
Deposition year 2010
Molecule type RNA
# RNA entities 1
Organism Homo
RCSB PDB Entry 2kx8
Reference Durney Michael A., D'Souza Victoria M.. 2010. Preformed Protein-binding Motifs in 7SK snRNA: Structural and Thermodynamic Comparisons with Retroviral TAR Journal of Molecular Biology
Equivalence Class NR_all_76247.1
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 ARG
Residue . / 392
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: snRNA
RNA family global snRNA
Volume 206.49 Å3
Hydrophobicity 0.261
Hydrophilicity 0.888
Buriedness 0.694
Don/acc character 1.756
SiteScore 0.957
D Score 0.785
Kd 6.31uM