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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 2fd0

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 16.65 kDa
Deposition year 2005
Molecule type RNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 2fd0
Reference Ennifar E.. 2006. Targeting the dimerization initiation site of HIV-1 RNA with aminoglycosides: from crystal to cell Nucleic Acids Research
Equivalence Class NR_all_78706.4
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 . / 1001
Chain C / A
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 466.82 Å3
Hydrophobicity 0.157
Hydrophilicity 1.010
Buriedness 0.651
Don/acc character 1.415
SiteScore 1.125
D Score 1.001
Kd

Compound LIV
Residue . / 2001
Chain F / 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 499.41 Å3
Hydrophobicity 0.187
Hydrophilicity 1.202
Buriedness 0.682
Don/acc character 1.153
SiteScore 1.139
D Score 0.957
Kd