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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 3s1r

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 3.20
System mass 481.21 kDa
Deposition year 2011
Molecule type RNA/DNA/Protein
# RNA entities 1
Organism N/A
RCSB PDB Entry 3s1r
Reference Liu Xin, Bushnell David A., Silva Daniel-Adriano, Huang Xuhui, Kornberg Roger D.. 2011. Initiation Complex Structure and Promoter Proofreading Science
Equivalence Class NR_all_10541.3
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 GTP
Residue . / 100
Chain V / R
Non-redundant True
Interacting RNA chains K/R
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains K/R: unknown
RNA family global unknown
Volume 502.84 Å3
Hydrophobicity 0.206
Hydrophilicity 1.306
Buriedness 0.787
Don/acc character 1.030
SiteScore 1.059
D Score 0.986
Kd