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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 2dr8

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 2.50
System mass 62.67 kDa
Deposition year 2006
Molecule type RNA/Protein
# RNA entities 1
Organism N/A
RCSB PDB Entry 2dr8
Reference Tomita Kozo, Ishitani Ryuichiro, Fukai Shuya, Nureki Osamu. 2006. Complete crystallographic analysis of the dynamics of CCA sequence addition Nature
Equivalence Class NR_all_66108.3
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 CTP
Residue . / 501
Chain E / A
Non-redundant True
Interacting RNA chains A/B
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains A/B: tRNA
RNA family global tRNA
Volume 470.94 Å3
Hydrophobicity 0.252
Hydrophilicity 1.483
Buriedness 0.828
Don/acc character 0.466
SiteScore 1.087
D Score 0.954
Kd