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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 2f4s

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 2.80
System mass 13.81 kDa
Deposition year 2005
Molecule type RNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 2f4s
Reference Murray James B., Meroueh Samy O., Russell Rupert J.M., Lentzen Georg, Haddad Jalal, Mobashery Shahriar. 2006. Interactions of Designer Antibiotics and the Bacterial Ribosomal Aminoacyl-tRNA Site Chemistry & Biology
Equivalence Class NR_all_82951.3
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 XXX
Residue . / 501
Chain C / B
Non-redundant False
Interacting RNA chains A/A, B/B
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/A: rRNA, B/B: rRNA
RNA family global rRNA
Volume 89.18 Å3
Hydrophobicity 0.081
Hydrophilicity 0.872
Buriedness 0.572
Don/acc character 4.440
SiteScore 0.787
D Score 0.599
Kd 19uM