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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 3c7r

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 1.70
System mass 16.23 kDa
Deposition year 2008
Molecule type RNA/DNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 3c7r
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 NMY
Residue . / 24
Chain C / A
Non-redundant True
Interacting RNA chains A/A, B/B
RNA environment detailled ion, other
RNA environment global RNA/Other
RNA family chains A/A: TAR_rna, B/B: TAR_rna
RNA family global TAR_rna
Volume 511.76 Å3
Hydrophobicity 0.074
Hydrophilicity 1.222
Buriedness 0.701
Don/acc character 1.551
SiteScore 1.152
D Score 0.962
Kd

Compound NMY
Residue . / 24
Chain E / B
Non-redundant False
Interacting RNA chains A/A, B/B
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 453.45 Å3
Hydrophobicity 0.092
Hydrophilicity 1.184
Buriedness 0.701
Don/acc character 1.408
SiteScore 1.152
D Score 0.975
Kd