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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 5ib7

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 2.99
System mass 4540.51 kDa
Deposition year 2016
Molecule type RNA/Protein
# RNA entities 1
Organism Thermus
RCSB PDB Entry 5ib7
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_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 PAR
Residue . / 1702
Chain ZHA / 1G
Non-redundant True
Interacting RNA chains EB/1G
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains EB/1G: rRNA
RNA family global rRNA
Volume 593.05 Å3
Hydrophobicity 0.083
Hydrophilicity 1.081
Buriedness 0.650
Don/acc character 2.189
SiteScore 1.118
D Score 0.978
Kd

Compound SPE
Residue . / 1703
Chain AIA / 1G
Non-redundant True
Interacting RNA chains EB/1G
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains EB/1G: rRNA
RNA family global rRNA
Volume -
Hydrophobicity -
Hydrophilicity -
Buriedness -
Don/acc character -
SiteScore -
D Score -
Kd

Compound SPE
Residue . / 3436
Chain EZA / 14
Non-redundant True
Interacting RNA chains DC/14
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains DC/14: rRNA
RNA family global rRNA
Volume 501.47 Å3
Hydrophobicity 0.038
Hydrophilicity 1.286
Buriedness 0.675
Don/acc character 1.712
SiteScore 1.135
D Score 0.926
Kd