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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 2hvr

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 2.45
System mass 106.16 kDa
Deposition year 2006
Molecule type RNA/DNA/Protein
# RNA entities 1
Organism N/A
RCSB PDB Entry 2hvr
Reference Nandakumar Jayakrishnan, Shuman Stewart, Lima Christopher D.. 2006. RNA Ligase Structures Reveal the Basis for RNA Specificity and Conformational Changes that Drive Ligation Forward Cell

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 BTB
Residue . / 201
Chain I / C
Non-redundant True
Interacting RNA chains B/D
RNA environment detailled DNA
RNA environment global RNA/DNA
RNA family chains B/D: unknown
RNA family global unknown
Volume 99.13 Å3
Hydrophobicity 0.037
Hydrophilicity 0.604
Buriedness 0.456
Don/acc character 2.234
SiteScore 0.922
D Score 1.017
Kd