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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 3b0u

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 1.95
System mass 82.69 kDa
Deposition year 2011
Molecule type RNA/Protein
# RNA entities 1
Organism Thermus
RCSB PDB Entry 3b0u
Reference Yu Futao, Tanaka Yoshikazu, Yamashita Keitaro, Suzuki Takeo, Nakamura Akiyoshi, Hirano Nagisa, Suzuki Tsutomu, Yao Min, Tanaka Isao. 2011. Molecular basis of dihydrouridine formation on tRNA Proceedings of the National Academy of Sciences
Equivalence Class NR_all_35987.3
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 FMN
Residue . / 400
Chain E / X
Non-redundant True
Interacting RNA chains A/A
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains A/A: tRNA
RNA family global tRNA
Volume 264.80 Å3
Hydrophobicity 0.236
Hydrophilicity 1.694
Buriedness 0.824
Don/acc character 0.530
SiteScore 1.084
D Score 0.882
Kd

Compound FMN
Residue . / 400
Chain F / Y
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 250.73 Å3
Hydrophobicity 0.209
Hydrophilicity 1.505
Buriedness 0.753
Don/acc character 0.368
SiteScore 1.037
D Score 0.901
Kd