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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 3ola

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 2.55
System mass 281.20 kDa
Deposition year 2010
Molecule type RNA/DNA/Protein
# RNA entities 1
Organism N/A
RCSB PDB Entry 3ola
Reference Gong Peng, Peersen Olve B.. 2010. Structural basis for active site closure by the poliovirus RNA-dependent RNA polymerase Proceedings of the National Academy of Sciences
Equivalence Class NR_all_48488.2
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 DCP
Residue . / 4002
Chain GA / K
Non-redundant True
Interacting RNA chains J/J, K/K
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains J/J: unknown, K/K: unknown
RNA family global unknown
Volume 740.54 Å3
Hydrophobicity 0.308
Hydrophilicity 1.399
Buriedness 0.807
Don/acc character 0.646
SiteScore 1.073
D Score 0.968
Kd

Compound DCP
Residue . / 4001
Chain KA / O
Non-redundant False
Interacting RNA chains N/N, O/O
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains N/N: unknown, O/O: unknown
RNA family global unknown
Volume 714.47 Å3
Hydrophobicity 0.239
Hydrophilicity 1.438
Buriedness 0.812
Don/acc character 0.716
SiteScore 1.076
D Score 0.958
Kd