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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 3s1q

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 3.30
System mass 481.22 kDa
Deposition year 2011
Molecule type RNA/DNA/Protein
# RNA entities 1
Organism N/A
RCSB PDB Entry 3s1q
Reference Liu Xin, Bushnell David A., Silva Daniel-Adriano, Huang Xuhui, Kornberg Roger D.. 2011. Initiation Complex Structure and Promoter Proofreading Science

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 . / 1736
Chain Q / A
Non-redundant True
Interacting RNA chains K/R
RNA environment detailled DNA, protein, ion
RNA environment global RNA/DNA/Protein
RNA family chains K/R: unknown
RNA family global unknown
Volume 424.29 Å3
Hydrophobicity 0.777
Hydrophilicity 1.043
Buriedness 0.851
Don/acc character 1.203
SiteScore 0.821
D Score 0.750
Kd