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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 5dto

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 2.60
System mass 105.15 kDa
Deposition year 2015
Molecule type RNA/Protein
# RNA entities 1
Organism Orthoflavivirus
RCSB PDB Entry 5dto
Reference Zhao Yongqian, Soh Tingjin Sherryl, Lim Siew Pheng, Chung Ka Yan, Swaminathan Kunchithapadam, Vasudevan Subhash G., Shi Pei-Yong, Lescar Julien, Luo Dahai. 2015. Molecular basis for specific viral RNA recognition and 2′-O-ribose methylation by the dengue virus nonstructural protein 5 (NS5) Proceedings of the National Academy of Sciences
Equivalence Class NR_all_38685.1
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 SAH
Residue . / 1003
Chain E / A
Non-redundant True
Interacting RNA chains B/B
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains B/B: unknown
RNA family global unknown
Volume 355.01 Å3
Hydrophobicity 0.627
Hydrophilicity 1.245
Buriedness 0.844
Don/acc character 0.508
SiteScore 1.098
D Score 1.041
Kd