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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 6tf3

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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 2.66
System mass 17.47 kDa
Deposition year 2019
Molecule type RNA
# RNA entities 1
Organism Candidatus Korobacter
RCSB PDB Entry 6tf3
Reference Huang Lin, Wang Jia, Lilley David M.J.. 2020. Structure and ligand binding of the ADP-binding domain of the NAD+ riboswitch RNA
Equivalence Class NR_all_80360.4
BGSU version: 4.52

Pockets List

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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 3AT
Residue . / 109
Chain J / 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 53.51 Å3
Hydrophobicity 0.509
Hydrophilicity 0.736
Buriedness 0.541
Don/acc character 1.564
SiteScore 0.673
D Score 0.472
Kd