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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 6q57

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 2.72
System mass 29.21 kDa
Deposition year 2018
Molecule type RNA
# RNA entities 1
Organism Streptococcus
RCSB PDB Entry 6q57
Equivalence Class NR_all_78797.7
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 T0A
Residue . / 101
Chain B / A
Non-redundant True
Interacting RNA chains A/A
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/A: riboswitch
RNA family global riboswitch
Volume 91.24 Å3
Hydrophobicity 0.097
Hydrophilicity 0.939
Buriedness 0.582
Don/acc character 2.524
SiteScore 0.695
D Score 0.474
Kd

Compound T0A
Residue . / 102
Chain C / A
Non-redundant True
Interacting RNA chains A/A
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/A: riboswitch
RNA family global riboswitch
Volume 97.76 Å3
Hydrophobicity 0.170
Hydrophilicity 0.762
Buriedness 0.585
Don/acc character 1.536
SiteScore 0.783
D Score 0.600
Kd