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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 5nrg

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 3.44
System mass 1344.44 kDa
Deposition year 2017
Molecule type RNA/Protein
# RNA entities 1
Organism Staphylococcus
RCSB PDB Entry 5nrg
Reference Matzov Donna, Eyal Zohar, Benhamou Raphael I., Shalev-Benami Moran, Halfon Yehuda, Krupkin Miri, Zimmerman Ella, Rozenberg Haim, Bashan Anat, Fridman Micha, Yonath Ada. 2017. Structural insights of lincosamides targeting the ribosome of Staphylococcus aureus Nucleic Acids Research
Equivalence Class NR_all_90633.30
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 95H
Residue . / 3001
Chain AA / X
Non-redundant True
Interacting RNA chains A/X
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/X: rRNA
RNA family global rRNA
Volume -
Hydrophobicity -
Hydrophilicity -
Buriedness -
Don/acc character -
SiteScore -
D Score -
Kd

Compound EPE
Residue . / 3285
Chain YK / X
Non-redundant True
Interacting RNA chains A/X
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains A/X: rRNA
RNA family global rRNA
Volume 737.79 Å3
Hydrophobicity 0.116
Hydrophilicity 1.256
Buriedness 0.816
Don/acc character 1.483
SiteScore 1.229
D Score 1.020
Kd