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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 5on2

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 3.10
System mass 256.91 kDa
Deposition year 2017
Molecule type RNA/Protein
# RNA entities 1
Organism Escherichia
RCSB PDB Entry 5on2
Reference Dulic Morana, Cvetesic Nevena, Zivkovic Igor, Palencia Andrés, Cusack Stephen, Bertosa Branimir, Gruic-Sovulj Ita. 2018. Kinetic Origin of Substrate Specificity in Post-Transfer Editing by Leucyl-tRNA Synthetase Journal of Molecular Biology
Equivalence Class NR_all_11709.5
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 LSS
Residue . / 901
Chain F / A
Non-redundant True
Interacting RNA chains B/B
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains B/B: tRNA
RNA family global tRNA
Volume 428.41 Å3
Hydrophobicity 1.055
Hydrophilicity 1.234
Buriedness 0.906
Don/acc character 0.783
SiteScore 1.139
D Score 1.081
Kd

Compound LSS
Residue . / 901
Chain J / D
Non-redundant True
Interacting RNA chains D/E
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains D/E: tRNA
RNA family global tRNA
Volume 463.39 Å3
Hydrophobicity 1.001
Hydrophilicity 1.160
Buriedness 0.883
Don/acc character 0.661
SiteScore 1.124
D Score 1.092
Kd