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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4xwf

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 1.80
System mass 22.51 kDa
Deposition year 2015
Molecule type RNA
# RNA entities 1
Organism Schaalia
RCSB PDB Entry 4xwf
Reference Trausch Jeremiah J., Marcano-Velázquez Joan G., Matyjasik Michal M., Batey Robert T.. 2015. Metal Ion-Mediated Nucleobase Recognition by the ZTP Riboswitch Chemistry & Biology
Equivalence Class NR_all_48352.4
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 AMZ
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: riboswitch
RNA family global riboswitch
Volume 460.31 Å3
Hydrophobicity 0.045
Hydrophilicity 0.837
Buriedness 0.478
Don/acc character 2.074
SiteScore 1.042
D Score 0.954
Kd 1.08uM