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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4v8f

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 3.30
System mass 4713.03 kDa
Deposition year 2011
Molecule type RNA/Protein
# RNA entities 1
Organism Thermus
RCSB PDB Entry 4v8f
Reference Demeshkina Natalia, Jenner Lasse, Westhof Eric, Yusupov Marat, Yusupova Gulnara. 2012. A new understanding of the decoding principle on the ribosome Nature
Equivalence Class NR_all_65795.87, NR_all_42622.80
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 PAR
Residue . / 1715
Chain BFA / BA
Non-redundant True
Interacting RNA chains EA/BA
RNA environment detailled ion
RNA environment global RNA
RNA family chains EA/BA: rRNA
RNA family global rRNA
Volume 255.88 Å3
Hydrophobicity 0.133
Hydrophilicity 1.378
Buriedness 0.709
Don/acc character 0.927
SiteScore 1.059
D Score 0.790
Kd

Compound PAR
Residue . / 1722
Chain XOA / CA
Non-redundant True
Interacting RNA chains DB/CA
RNA environment detailled ion
RNA environment global RNA
RNA family chains DB/CA: rRNA
RNA family global rRNA
Volume 825.94 Å3
Hydrophobicity 0.043
Hydrophilicity 0.967
Buriedness 0.590
Don/acc character 2.002
SiteScore 1.092
D Score 0.979
Kd