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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4v9b

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 4461.38 kDa
Deposition year 2012
Molecule type RNA/Protein
# RNA entities 1
Organism Thermus
RCSB PDB Entry 4v9b
Reference Jenner Lasse, Starosta Agata L., Terry Daniel S., Mikolajka Aleksandra, Filonava Liudmila, Yusupov Marat, Blanchard Scott C., Wilson Daniel N., Yusupova Gulnara. 2013. Structural basis for potent inhibitory activity of the antibiotic tigecycline during protein synthesis Proceedings of the National Academy of Sciences
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 T1C
Residue . / 1837
Chain GM / AA
Non-redundant True
Interacting RNA chains A/AA
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/AA: rRNA
RNA family global rRNA
Volume 152.98 Å3
Hydrophobicity 0.042
Hydrophilicity 1.606
Buriedness 0.685
Don/acc character 0.558
SiteScore 1.084
D Score 0.754
Kd

Compound T1C
Residue . / 1800
Chain KUA / CA
Non-redundant True
Interacting RNA chains CB/CA
RNA environment detailled ion
RNA environment global RNA
RNA family chains CB/CA: rRNA
RNA family global rRNA
Volume 187.96 Å3
Hydrophobicity 0.291
Hydrophilicity 1.372
Buriedness 0.706
Don/acc character 0.765
SiteScore 1.152
D Score 0.912
Kd