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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4v8a

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 4328.29 kDa
Deposition year 2011
Molecule type RNA/Protein
# RNA entities 1
Organism Thermus
RCSB PDB Entry 4v8a
Reference Bulkley David, Johnson Francis, Steitz Thomas A.. 2012. The Antibiotic Thermorubin Inhibits Protein Synthesis by Binding to Inter-Subunit Bridge B2a of the Ribosome Journal of Molecular Biology
Equivalence Class NR_all_65795.87, NR_all_97519.80
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 T8B
Residue . / 3001
Chain YC / AA
Non-redundant True
Interacting RNA chains DC/DA, A/AA
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/AA: rRNA, DC/DA: rRNA
RNA family global rRNA
Volume 294.64 Å3
Hydrophobicity 0.185
Hydrophilicity 1.567
Buriedness 0.660
Don/acc character 0.811
SiteScore 1.125
D Score 0.825
Kd

Compound T8B
Residue . / 3001
Chain BD / BA
Non-redundant True
Interacting RNA chains EA/BA, IB/CA
RNA environment detailled ion
RNA environment global RNA
RNA family chains EA/BA: rRNA, IB/CA: rRNA
RNA family global rRNA
Volume 309.04 Å3
Hydrophobicity 0.135
Hydrophilicity 1.373
Buriedness 0.618
Don/acc character 0.852
SiteScore 1.097
D Score 0.863
Kd