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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4u25

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 2.90
System mass 4268.91 kDa
Deposition year 2014
Molecule type RNA/Protein
# RNA entities 1
Organism Escherichia
RCSB PDB Entry 4u25
Reference Noeske Jonas, Huang Jian, Olivier Nelson B., Giacobbe Robert A., Zambrowski Mark, Cate Jamie H. D.. 2014. Synergy of Streptogramin Antibiotics Occurs Independently of Their Effects on Translation Antimicrobial Agents and Chemotherapy
Equivalence Class NR_all_83717.187
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 VIR
Residue . / 3001
Chain VF / BA
Non-redundant True
Interacting RNA chains V/BA
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains V/BA: rRNA
RNA family global rRNA
Volume 388.28 Å3
Hydrophobicity 0.705
Hydrophilicity 0.998
Buriedness 0.781
Don/acc character 2.375
SiteScore 1.053
D Score 0.877
Kd

Compound VIR
Residue . / 3001
Chain SP / DA
Non-redundant True
Interacting RNA chains WB/DA
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains WB/DA: rRNA
RNA family global rRNA
Volume 536.11 Å3
Hydrophobicity 0.547
Hydrophilicity 1.111
Buriedness 0.768
Don/acc character 1.261
SiteScore 0.745
D Score 0.940
Kd