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HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 2fcz

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 2.01
System mass 31.84 kDa
Deposition year 2005
Molecule type RNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 2fcz
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 RIO
Residue . / 1024
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 589.96 Å3
Hydrophobicity 0.153
Hydrophilicity 1.092
Buriedness 0.684
Don/acc character 1.337
SiteScore 1.140
D Score 0.994
Kd

Compound RIO
Residue . / 2024
Chain H / B
Non-redundant False
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 488.43 Å3
Hydrophobicity 0.173
Hydrophilicity 1.216
Buriedness 0.680
Don/acc character 0.956
SiteScore 1.138
D Score 0.952
Kd

Compound RIO
Residue . / 3024
Chain J / C
Non-redundant False
Interacting RNA chains D/D, C/C
RNA environment detailled ion, other
RNA environment global RNA/Other
RNA family chains C/C: TAR_rna, D/D: TAR_rna
RNA family global TAR_rna
Volume 546.40 Å3
Hydrophobicity 0.215
Hydrophilicity 1.035
Buriedness 0.679
Don/acc character 1.375
SiteScore 1.138
D Score 1.010
Kd

Compound RIO
Residue . / 4024
Chain L / D
Non-redundant False
Interacting RNA chains D/D, C/C
RNA environment detailled ion, other
RNA environment global RNA/Other
RNA family chains C/C: TAR_rna, D/D: TAR_rna
RNA family global TAR_rna
Volume 512.10 Å3
Hydrophobicity 0.178
Hydrophilicity 1.248
Buriedness 0.707
Don/acc character 0.989
SiteScore 1.156
D Score 0.957
Kd