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HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 6up0

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 2.80
System mass 25.50 kDa
Deposition year 2019
Molecule type RNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 6up0
Reference Jeng Sunny C.Y., Trachman Robert J., Weissenboeck Florian, Truong Lynda, Link Katie A., Jepsen Mette D.E., Knutson Jay R., Andersen Ebbe S., Ferré-D'Amaré Adrian R., Unrau Peter J.. 2021. Fluorogenic aptamers resolve the flexibility of RNA junctions using orientation-dependent FRET RNA
Equivalence Class NR_all_08239.3
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 YO3
Residue . / 104
Chain F / C
Non-redundant True
Interacting RNA chains A/C
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/C: aptamer_rna
RNA family global aptamer_rna
Volume 202.71 Å3
Hydrophobicity 0.765
Hydrophilicity 0.759
Buriedness 0.575
Don/acc character 2.848
SiteScore 1.122
D Score 1.038
Kd

Compound YO3
Residue . / 104
Chain K / D
Non-redundant True
Interacting RNA chains B/D
RNA environment detailled ion
RNA environment global RNA
RNA family chains B/D: aptamer_rna
RNA family global aptamer_rna
Volume 182.82 Å3
Hydrophobicity 1.094
Hydrophilicity 0.751
Buriedness 0.620
Don/acc character 1.881
SiteScore 1.088
D Score 0.983
Kd