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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 5ibb

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 2.96
System mass 4568.55 kDa
Deposition year 2016
Molecule type RNA/Protein
# RNA entities 1
Organism Thermus
RCSB PDB Entry 5ibb
Reference Rozov Alexey, Westhof Eric, Yusupov Marat, Yusupova Gulnara. 2016. The ribosome prohibits the G•U wobble geometry at the first position of the codon–anticodon helix Nucleic Acids Research
Equivalence Class NR_all_65795.87, NR_all_42622.80, NR_all_97519.80
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 SPE
Residue . / 1733
Chain UKA / 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 -
Hydrophobicity -
Hydrophilicity -
Buriedness -
Don/acc character -
SiteScore -
D Score -
Kd

Compound SPE
Residue . / 3446
Chain KCB / 14
Non-redundant True
Interacting RNA chains CC/14
RNA environment detailled ion
RNA environment global RNA
RNA family chains CC/14: rRNA
RNA family global rRNA
Volume 607.11 Å3
Hydrophobicity 0.081
Hydrophilicity 1.879
Buriedness 0.779
Don/acc character 1.260
SiteScore 1.204
D Score 0.795
Kd

Compound SPE
Residue . / 208
Chain TCB / 1J
Non-redundant True
Interacting RNA chains CC/14, DC/1J
RNA environment detailled ion
RNA environment global RNA
RNA family chains CC/14: rRNA, DC/1J: rRNA
RNA family global rRNA
Volume 281.95 Å3
Hydrophobicity 0.044
Hydrophilicity 2.129
Buriedness 0.711
Don/acc character 0.691
SiteScore 1.094
D Score 0.589
Kd