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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4wra

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 3.05
System mass 4526.11 kDa
Deposition year 2014
Molecule type RNA/Protein
# RNA entities 1
Organism Thermus
RCSB PDB Entry 4wra
Reference Rozov Alexey, Demeshkina Natalia, Westhof Eric, Yusupov Marat, Yusupova Gulnara. 2015. Structural insights into the translational infidelity mechanism 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 . / 1745
Chain SI / 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 54.19 Å3
Hydrophobicity 0.087
Hydrophilicity 0.782
Buriedness 0.544
Don/acc character 3.882
SiteScore 0.772
D Score 0.595
Kd

Compound PAR
Residue . / 1686
Chain AGA / 1G
Non-redundant True
Interacting RNA chains CB/1G
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains CB/1G: rRNA
RNA family global rRNA
Volume 518.62 Å3
Hydrophobicity 0.067
Hydrophilicity 1.043
Buriedness 0.654
Don/acc character 2.531
SiteScore 1.120
D Score 0.992
Kd