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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 1ei2

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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 8.61 kDa
Deposition year 2000
Molecule type RNA
# RNA entities 1
Organism Homo
RCSB PDB Entry 1ei2
Reference Varani L.. 2000. Structural basis for recognition of the RNA major groove in the tau exon 10 splicing regulatory element by aminoglycoside antibiotics Nucleic Acids Research
Molecular Dynamics Simulation mmb-A01WD, mmb-A01WJ, mmb-A01XD, mmb-A0225, mmb-A022F
Equivalence Class NR_all_98716.1
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 NMY
Residue . / 26
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: sre_rna
RNA family global sre_rna
Volume 220.55 Å3
Hydrophobicity 0.399
Hydrophilicity 1.067
Buriedness 0.701
Don/acc character 0.857
SiteScore 0.948
D Score 0.751
Kd