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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 5el6

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 4548.75 kDa
Deposition year 2015
Molecule type RNA/Protein
# RNA entities 1
Organism Thermus
RCSB PDB Entry 5el6
Reference Rozov Alexey, Demeshkina Natalia, Khusainov Iskander, Westhof Eric, Yusupov Marat, Yusupova Gulnara. 2016. Novel base-pairing interactions at the tRNA wobble position crucial for accurate reading of the genetic code Nature Communications
Equivalence Class NR_all_65795.87
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 PAR
Residue . / 1730
Chain EI / 13
Non-redundant True
Interacting RNA chains A/13
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/13: rRNA
RNA family global rRNA
Volume 338.20 Å3
Hydrophobicity 0.065
Hydrophilicity 1.073
Buriedness 0.698
Don/acc character 2.493
SiteScore 1.085
D Score 0.925
Kd

Compound PAR
Residue . / 1681
Chain GDA / 1G
Non-redundant True
Interacting RNA chains DB/1G
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains DB/1G: rRNA
RNA family global rRNA
Volume 498.72 Å3
Hydrophobicity 0.044
Hydrophilicity 1.125
Buriedness 0.660
Don/acc character 1.935
SiteScore 1.124
D Score 0.969
Kd