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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4u4q

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 6632.32 kDa
Deposition year 2014
Molecule type RNA/Protein
# RNA entities 1
Organism Saccharomyces
RCSB PDB Entry 4u4q
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 HMT
Residue . / 4217
Chain CWA / 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 1025.91 Å3
Hydrophobicity 0.361
Hydrophilicity 1.396
Buriedness 0.778
Don/acc character 1.047
SiteScore 1.204
D Score 0.952
Kd

Compound HMT
Residue . / 4255
Chain WUC / 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 542.28 Å3
Hydrophobicity 0.513
Hydrophilicity 1.277
Buriedness 0.775
Don/acc character 0.968
SiteScore 1.202
D Score 0.989
Kd