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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 5omw

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 2.60
System mass 256.18 kDa
Deposition year 2017
Molecule type RNA/Protein
# RNA entities 1
Organism Escherichia
RCSB PDB Entry 5omw
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 404.05 Å3
Hydrophobicity 0.724
Hydrophilicity 1.353
Buriedness 0.912
Don/acc character 0.757
SiteScore 1.143
D Score 1.046
Kd

Compound LSS
Residue . / 901
Chain I / 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 467.51 Å3
Hydrophobicity 0.814
Hydrophilicity 1.225
Buriedness 0.893
Don/acc character 0.587
SiteScore 1.130
D Score 1.077
Kd