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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 6hmo

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 Solution NMR
Experimental resolution N/A
System mass 7.37 kDa
Deposition year 2018
Molecule type RNA
# RNA entities 1
Organism Homo
RCSB PDB Entry 6hmo
Reference Campagne Sébastien, Boigner Sarah, Rüdisser Simon, Moursy Ahmed, Gillioz Laurent, Knörlein Anna, Hall Jonathan, Ratni Hasane, Cléry Antoine, Allain Frédéric H.-T.. 2019. Structural basis of a small molecule targeting RNA for a specific splicing correction Nature Chemical Biology
Molecular Dynamics Simulation mmb-A01WS, mmb-A01XJ, mmb-A01YI, mmb-A022C, mmb-A022L
Equivalence Class NR_all_79155.3
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 GDZ
Residue . / 101
Chain C / A
Non-redundant True
Interacting RNA chains A/A, B/B
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/A: sre_rna, B/B: sre_rna
RNA family global sre_rna
Volume 29.16 Å3
Hydrophobicity 0.006
Hydrophilicity 0.583
Buriedness 0.404
Don/acc character 3.369
SiteScore 0.956
D Score 0.883
Kd 28uM