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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 8tg4

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 1.37
System mass 25.92 kDa
Deposition year 2023
Molecule type RNA/Protein
# RNA entities 1
Organism N/A
RCSB PDB Entry 8tg4
Reference Jacewicz Agata, Dantuluri Swathi, Shuman Stewart. 2023. Structural basis for Tpt1-catalyzed 2′-PO 4 transfer from RNA and NADP(H) to NAD + Proceedings of the National Academy of Sciences
Equivalence Class NR_all_96291.1
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 9SO
Residue . / 203
Chain E / A
Non-redundant True
Interacting RNA chains B/C
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains B/C: tRNA
RNA family global tRNA
Volume 253.48 Å3
Hydrophobicity 0.875
Hydrophilicity 1.133
Buriedness 0.798
Don/acc character 0.407
SiteScore 0.977
D Score 0.934
Kd