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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 3c5d

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 1.80
System mass 16.53 kDa
Deposition year 2008
Molecule type RNA/DNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 3c5d
Reference Freisz Séverine, Lang Kathrin, Micura Ronald, Dumas Philippe, Ennifar Eric. 2008. Binding of Aminoglycoside Antibiotics to the Duplex Form of the HIV‐1 Genomic RNA Dimerization Initiation Site Angewandte Chemie International Edition
Equivalence Class NR_all_30081.2
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 LIV
Residue . / 24
Chain D / B
Non-redundant True
Interacting RNA chains B/B, A/A
RNA environment detailled other
RNA environment global RNA/Other
RNA family chains A/A: TAR_rna, B/B: TAR_rna
RNA family global TAR_rna
Volume 361.87 Å3
Hydrophobicity 0.071
Hydrophilicity 1.171
Buriedness 0.676
Don/acc character 1.486
SiteScore 1.128
D Score 0.954
Kd

Compound LIV
Residue . / 25
Chain E / B
Non-redundant False
Interacting RNA chains B/B, A/A
RNA environment detailled other
RNA environment global RNA/Other
RNA family chains A/A: TAR_rna, B/B: TAR_rna
RNA family global TAR_rna
Volume 430.47 Å3
Hydrophobicity 0.052
Hydrophilicity 1.106
Buriedness 0.675
Don/acc character 1.836
SiteScore 1.134
D Score 0.984
Kd