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HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4wtf

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 2.65
System mass 69.36 kDa
Deposition year 2014
Molecule type RNA/Protein
# RNA entities 1
Organism N/A
RCSB PDB Entry 4wtf
Reference Appleby Todd C., Perry Jason K., Murakami Eisuke, Barauskas Ona, Feng Joy, Cho Aesop, Fox David, Wetmore Diana R., McGrath Mary E., Ray Adrian S., Sofia Michael J., Swaminathan S., Edwards Thomas E.. 2015. Structural basis for RNA replication by the hepatitis C virus polymerase Science
Equivalence Class NR_all_71999.2
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 5GS
Residue . / 605
Chain H / A
Non-redundant True
Interacting RNA chains B/P, A/T
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains A/T: synthetic construct, B/P: synthetic construct
RNA family global synthetic construct
Volume 199.63 Å3
Hydrophobicity 0.206
Hydrophilicity 1.338
Buriedness 0.650
Don/acc character 0.466
SiteScore 0.968
D Score 0.894
Kd