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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 6mpi

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 3.33
System mass 789.00 kDa
Deposition year 2018
Molecule type RNA/Protein
# RNA entities 1
Organism Thermus
RCSB PDB Entry 6mpi
Reference Vangaveti Sweta, Cantara William A., Spears Jessica L., DeMirci Hasan, Murphy Frank V., Ranganathan Sri V., Sarachan Kathryn L., Agris Paul F.. 2020. A Structural Basis for Restricted Codon Recognition Mediated by 2-thiocytidine in tRNA Containing a Wobble Position Inosine Journal of Molecular Biology
Equivalence Class NR_all_65795.87
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 PAR
Residue . / 1693
Chain LD / A
Non-redundant False
Interacting RNA chains A/A
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/A: rRNA
RNA family global rRNA
Volume 91.92 Å3
Hydrophobicity 0.082
Hydrophilicity 0.844
Buriedness 0.606
Don/acc character 4.904
SiteScore 0.801
D Score 0.612
Kd