HARIBOSS logo

HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 2fcx

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 2.00
System mass 15.73 kDa
Deposition year 2005
Molecule type RNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 2fcx
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 XXX
Residue . / 101
Chain F / A
Non-redundant True
Interacting RNA chains B/B, A/A
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 545.71 Å3
Hydrophobicity 0.254
Hydrophilicity 1.108
Buriedness 0.683
Don/acc character 1.424
SiteScore 1.140
D Score 0.989
Kd

Compound XXX
Residue . / 201
Chain H / 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 486.37 Å3
Hydrophobicity 0.129
Hydrophilicity 1.150
Buriedness 0.681
Don/acc character 1.408
SiteScore 1.138
D Score 0.974
Kd