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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4q5s

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 3.00
System mass 443.98 kDa
Deposition year 2014
Molecule type RNA/DNA/Protein
# RNA entities 1
Organism N/A
RCSB PDB Entry 4q5s
Reference Basu Ritwika S., Warner Brittany A., Molodtsov Vadim, Pupov Danil, Esyunina Daria, Fernández-Tornero Carlos, Kulbachinskiy Andrey, Murakami Katsuhiko S.. 2014. Structural Basis of Transcription Initiation by Bacterial RNA Polymerase Holoenzyme Journal of Biological Chemistry

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 ATP
Residue . / 101
Chain M / I
Non-redundant True
Interacting RNA chains I/I
RNA environment detailled DNA, protein
RNA environment global RNA/DNA/Protein
RNA family chains I/I: unknown
RNA family global unknown
Volume 315.22 Å3
Hydrophobicity 0.388
Hydrophilicity 1.068
Buriedness 0.762
Don/acc character 0.870
SiteScore 0.882
D Score 0.843
Kd