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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4yco

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 2.10
System mass 182.94 kDa
Deposition year 2015
Molecule type RNA/Protein
# RNA entities 1
Organism Escherichia
RCSB PDB Entry 4yco
Reference Byrne Robert T., Jenkins Huw T., Peters Daniel T., Whelan Fiona, Stowell James, Aziz Naveed, Kasatsky Pavel, Rodnina Marina V., Koonin Eugene V., Konevega Andrey L., Antson Alfred A.. 2015. Major reorientation of tRNA substrates defines specificity of dihydrouridine synthases Proceedings of the National Academy of Sciences
Equivalence Class NR_all_19951.102
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 FMN
Residue . / 401
Chain G / A
Non-redundant True
Interacting RNA chains D/D
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains D/D: tRNA
RNA family global tRNA
Volume 232.21 Å3
Hydrophobicity 0.443
Hydrophilicity 1.751
Buriedness 0.909
Don/acc character 0.542
SiteScore 1.141
D Score 0.914
Kd

Compound FMN
Residue . / 402
Chain I / B
Non-redundant False
Interacting RNA chains E/E
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains E/E: tRNA
RNA family global tRNA
Volume 350.89 Å3
Hydrophobicity 0.373
Hydrophilicity 1.617
Buriedness 0.907
Don/acc character 0.555
SiteScore 1.140
D Score 0.957
Kd

Compound FMN
Residue . / 401
Chain J / C
Non-redundant False
Interacting RNA chains F/F
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains F/F: tRNA
RNA family global tRNA
Volume 483.63 Å3
Hydrophobicity 0.297
Hydrophilicity 1.671
Buriedness 0.873
Don/acc character 0.780
SiteScore 1.117
D Score 0.919
Kd