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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4u4u

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 3.00
System mass 6631.59 kDa
Deposition year 2014
Molecule type RNA/Protein
# RNA entities 1
Organism Saccharomyces
RCSB PDB Entry 4u4u
Reference Garreau de Loubresse Nicolas, Prokhorova Irina, Holtkamp Wolf, Rodnina Marina V., Yusupova Gulnara, Yusupov Marat. 2014. Structural basis for the inhibition of the eukaryotic ribosome Nature
Equivalence Class NR_all_90506.85
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 3KD
Residue . / 4218
Chain DWA / 1
Non-redundant True
Interacting RNA chains JA/1
RNA environment detailled ion
RNA environment global RNA
RNA family chains JA/1: rRNA
RNA family global rRNA
Volume 515.53 Å3
Hydrophobicity 0.142
Hydrophilicity 1.816
Buriedness 0.792
Don/acc character 0.786
SiteScore 1.213
D Score 0.823
Kd

Compound 3KD
Residue . / 4254
Chain UUC / 5
Non-redundant True
Interacting RNA chains KD/5
RNA environment detailled ion
RNA environment global RNA
RNA family chains KD/5: rRNA
RNA family global rRNA
Volume 585.84 Å3
Hydrophobicity 0.115
Hydrophilicity 1.876
Buriedness 0.788
Don/acc character 0.677
SiteScore 1.210
D Score 0.801
Kd