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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4u4n

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 3.10
System mass 6631.84 kDa
Deposition year 2014
Molecule type RNA/Protein
# RNA entities 1
Organism Saccharomyces
RCSB PDB Entry 4u4n
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_03510.74
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 EDE
Residue . / 2180
Chain ZP / 2
Non-redundant True
Interacting RNA chains A/2
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains A/2: rRNA
RNA family global rRNA
Volume 707.61 Å3
Hydrophobicity 0.222
Hydrophilicity 1.294
Buriedness 0.722
Don/acc character 1.782
SiteScore 1.166
D Score 0.951
Kd

Compound EDE
Residue . / 2202
Chain PMB / 6
Non-redundant True
Interacting RNA chains BC/6
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains BC/6: rRNA
RNA family global rRNA
Volume 617.40 Å3
Hydrophobicity 0.122
Hydrophilicity 1.352
Buriedness 0.738
Don/acc character 2.080
SiteScore 1.177
D Score 0.942
Kd