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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 2esi

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 3.00
System mass 16.16 kDa
Deposition year 2005
Molecule type RNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 2esi
Reference Francois B.. 2005. Crystal structures of complexes between aminoglycosides and decoding A site oligonucleotides: role of the number of rings and positive charges in the specific binding leading to miscoding Nucleic Acids Research
Equivalence Class NR_all_71199.7
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 KAN
Residue . / 51
Chain C / A
Non-redundant True
Interacting RNA chains B/B, A/A
RNA environment detailled other
RNA environment global RNA/Other
RNA family chains A/A: rRNA, B/B: rRNA
RNA family global rRNA
Volume 651.01 Å3
Hydrophobicity 0.126
Hydrophilicity 1.071
Buriedness 0.667
Don/acc character 1.947
SiteScore 1.129
D Score 0.991
Kd

Compound KAN
Residue . / 50
Chain D / A
Non-redundant True
Interacting RNA chains B/B, A/A
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/A: rRNA, B/B: rRNA
RNA family global rRNA
Volume 102.90 Å3
Hydrophobicity 0.086
Hydrophilicity 0.872
Buriedness 0.566
Don/acc character 2.668
SiteScore 0.825
D Score 0.650
Kd

Compound KAN
Residue . / 52
Chain E / B
Non-redundant False
Interacting RNA chains B/B, A/A
RNA environment detailled other
RNA environment global RNA/Other
RNA family chains A/A: rRNA, B/B: rRNA
RNA family global rRNA
Volume 172.87 Å3
Hydrophobicity 0.041
Hydrophilicity 1.052
Buriedness 0.663
Don/acc character 1.482
SiteScore 0.814
D Score 0.595
Kd