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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 2fcy

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 2.20
System mass 16.53 kDa
Deposition year 2005
Molecule type RNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 2fcy
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 NMY
Residue . / 1001
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 470.94 Å3
Hydrophobicity 0.195
Hydrophilicity 0.952
Buriedness 0.666
Don/acc character 2.372
SiteScore 1.146
D Score 1.029
Kd

Compound NMY
Residue . / 2001
Chain H / B
Non-redundant False
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 518.27 Å3
Hydrophobicity 0.211
Hydrophilicity 1.007
Buriedness 0.695
Don/acc character 1.595
SiteScore 1.154
D Score 1.029
Kd