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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4u51

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 3.20
System mass 6630.59 kDa
Deposition year 2014
Molecule type RNA/Protein
# RNA entities 1
Organism Saccharomyces
RCSB PDB Entry 4u51
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 3KF
Residue . / 4212
Chain XVA / 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 539.20 Å3
Hydrophobicity 0.688
Hydrophilicity 1.101
Buriedness 0.786
Don/acc character 1.244
SiteScore 1.209
D Score 1.053
Kd

Compound 3KF
Residue . / 4248
Chain KUC / 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 581.39 Å3
Hydrophobicity 0.619
Hydrophilicity 1.251
Buriedness 0.780
Don/acc character 1.301
SiteScore 1.205
D Score 1.000
Kd