HARIBOSS logo

HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4yb1

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 2.08
System mass 40.85 kDa
Deposition year 2015
Molecule type RNA/Protein
# RNA entities 1
Organism Vibrio
RCSB PDB Entry 4yb1
Reference Ren Aiming, Wang Xin C., Kellenberger Colleen A., Rajashankar Kanagalaghatta R., Jones Roger A., Hammond Ming C., Patel Dinshaw J.. 2015. Structural Basis for Molecular Discrimination by a 3′,3′-cGAMP Sensing Riboswitch Cell Reports
Equivalence Class NR_all_12260.5
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 4BW
Residue . / 102
Chain D / R
Non-redundant True
Interacting RNA chains A/R
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/R: riboswitch
RNA family global riboswitch
Volume 359.46 Å3
Hydrophobicity 0.771
Hydrophilicity 0.989
Buriedness 0.711
Don/acc character 1.127
SiteScore 1.169
D Score 1.044
Kd