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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 8uta

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 3.05
System mass 179.17 kDa
Deposition year 2023
Molecule type RNA/Protein
# RNA entities 1
Organism Ruminococcus
RCSB PDB Entry 8uta
Reference Krochmal Daniel, Roman Christina, Lewicka Anna, Shao Yaming, Piccirilli Joseph A.. 2024. Structural basis for promiscuity in ligand recognition by yjdF riboswitch Cell Discovery
Equivalence Class NR_all_66812.3
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 PRL
Residue . / 204
Chain J / N
Non-redundant True
Interacting RNA chains A/N
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/N: riboswitch
RNA family global riboswitch
Volume 675.37 Å3
Hydrophobicity 0.851
Hydrophilicity 1.118
Buriedness 0.802
Don/acc character 1.530
SiteScore 1.070
D Score 1.057
Kd

Compound PRL
Residue . / 204
Chain N / R
Non-redundant True
Interacting RNA chains B/R
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains B/R: riboswitch
RNA family global riboswitch
Volume 541.25 Å3
Hydrophobicity 0.986
Hydrophilicity 0.887
Buriedness 0.743
Don/acc character 1.935
SiteScore 1.060
D Score 1.096
Kd