HARIBOSS logo

HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 5ob3

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 22.91 kDa
Deposition year 2017
Molecule type RNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 5ob3
Reference Fernandez-Millan Pablo, Autour Alexis, Ennifar Eric, Westhof Eric, Ryckelynck Michael. 2017. Crystal structure and fluorescence properties of the iSpinach aptamer in complex with DFHBI RNA
Equivalence Class NR_all_57264.3
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 1TU
Residue . / 101
Chain B / A
Non-redundant True
Interacting RNA chains A/A
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/A: aptamer_rna
RNA family global aptamer_rna
Volume 395.48 Å3
Hydrophobicity 0.602
Hydrophilicity 0.857
Buriedness 0.650
Don/acc character 1.971
SiteScore 1.153
D Score 1.051
Kd

Compound SPM
Residue . / 104
Chain E / A
Non-redundant True
Interacting RNA chains A/A
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/A: aptamer_rna
RNA family global aptamer_rna
Volume 249.36 Å3
Hydrophobicity 0.033
Hydrophilicity 0.987
Buriedness 0.683
Don/acc character 3.453
SiteScore 0.887
D Score 0.690
Kd