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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 1eht

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 10.82 kDa
Deposition year 1997
Molecule type RNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 1eht
Reference Zimmermann Grant R., Jenison Robert D., Wick Catherine L., Simorre Jean-Pierre, Pardi Arthur. 1997. Interlocking structural motifs mediate molecular discrimination by a theophylline-binding RNA Nature Structural Biology
Equivalence Class NR_all_48165.4
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 TEP
Residue . / 34
Chain B / A
Non-redundant True
Interacting RNA chains A/A
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/A: unknown
RNA family global unknown
Volume 35.67 Å3
Hydrophobicity 1.010
Hydrophilicity 0.573
Buriedness 0.580
Don/acc character 2.191
SiteScore 0.702
D Score 0.513
Kd