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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 2bh2

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 2.15
System mass 121.46 kDa
Deposition year 2005
Molecule type RNA/Protein
# RNA entities 1
Organism Escherichia
RCSB PDB Entry 2bh2
Reference Lee Tom T., Agarwalla Sanjay, Stroud Robert M.. 2005. A Unique RNA Fold in the RumA-RNA-Cofactor Ternary Complex Contributes to Substrate Selectivity and Enzymatic Function Cell
Equivalence Class NR_all_03525.3
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 SAH
Residue . / 500
Chain E / A
Non-redundant True
Interacting RNA chains C/C
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains C/C: rRNA
RNA family global rRNA
Volume 515.19 Å3
Hydrophobicity 0.451
Hydrophilicity 1.456
Buriedness 0.870
Don/acc character 0.672
SiteScore 1.115
D Score 0.988
Kd

Compound SAH
Residue . / 500
Chain G / B
Non-redundant False
Interacting RNA chains D/D
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains D/D: rRNA
RNA family global rRNA
Volume 392.39 Å3
Hydrophobicity 0.837
Hydrophilicity 1.215
Buriedness 0.843
Don/acc character 0.865
SiteScore 1.097
D Score 1.050
Kd