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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4v56

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 3.93
System mass 4295.84 kDa
Deposition year 2007
Molecule type RNA/Protein
# RNA entities 1
Organism Escherichia
RCSB PDB Entry 4v56
Reference Borovinskaya Maria A., Shoji Shinichiro, Holton James M., Fredrick Kurt, Cate Jamie H. D.. 2007. A Steric Block in Translation Caused by the Antibiotic Spectinomycin ACS Chemical Biology
Equivalence Class NR_all_56726.172
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 SCM
Residue . / 1661
Chain IF / AA
Non-redundant True
Interacting RNA chains A/AA
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains A/AA: rRNA
RNA family global rRNA
Volume 483.63 Å3
Hydrophobicity 0.121
Hydrophilicity 1.198
Buriedness 0.747
Don/acc character 1.891
SiteScore 1.183
D Score 0.998
Kd

Compound SCM
Residue . / 1659
Chain WL / CA
Non-redundant True
Interacting RNA chains AB/CA
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains AB/CA: rRNA
RNA family global rRNA
Volume 467.51 Å3
Hydrophobicity 0.091
Hydrophilicity 1.256
Buriedness 0.716
Don/acc character 1.616
SiteScore 1.162
D Score 0.960
Kd