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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 1arj

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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 9.48 kDa
Deposition year 1995
Molecule type RNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 1arj
Reference Aboul-ela Fareed, Karn Jonathan, Varani Gabriele. 1995. The Structure of the Human Immunodeficiency Virus Type-1 TAR RNA Reveals Principles of RNA Recognition by Tat Protein Journal of Molecular Biology
Equivalence Class NR_all_84451.1
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 . / 1
Chain B / N
Non-redundant True
Interacting RNA chains A/N
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/N: TAR_rna
RNA family global TAR_rna
Volume 365.30 Å3
Hydrophobicity 0.149
Hydrophilicity 1.196
Buriedness 0.670
Don/acc character 1.512
SiteScore 1.131
D Score 0.952
Kd 1mM