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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 1nta

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 2.90
System mass 13.79 kDa
Deposition year 2003
Molecule type RNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 1nta
Reference Tereshko Valentina, Skripkin Eugene, Patel Dinshaw J. 2003. Encapsulating Streptomycin within a Small 40-mer RNA Chemistry & Biology
Molecular Dynamics Simulation mmb-A01WN, mmb-A01WU, mmb-A01XE, mmb-A0226, mmb-A022G
Equivalence Class NR_all_74199.3
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 SRY
Residue . / 26
Chain F / A
Non-redundant True
Interacting RNA chains A/A, B/B
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/A: aptamer_rna, B/B: aptamer_rna
RNA family global aptamer_rna
Volume 317.62 Å3
Hydrophobicity 0.051
Hydrophilicity 1.511
Buriedness 0.728
Don/acc character 1.067
SiteScore 1.170
D Score 0.884
Kd