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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 6ha8

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 Electron Microscopy
Experimental resolution 3.50
System mass 2219.81 kDa
Deposition year 2018
Molecule type RNA/Protein
# RNA entities 1
Organism Bacillus
RCSB PDB Entry 6ha8
Reference Crowe-McAuliffe Caillan, Graf Michael, Huter Paul, Takada Hiraku, Abdelshahid Maha, Nováček Jiří, Murina Victoriia, Atkinson Gemma C., Hauryliuk Vasili, Wilson Daniel N.. 2018. Structural basis for antibiotic resistance mediated by the Bacillus subtilis ABCF ATPase VmlR Proceedings of the National Academy of Sciences
Equivalence Class NR_all_41610.25
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 TEL
Residue . / 3001
Chain BB / A
Non-redundant True
Interacting RNA chains A/A
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains A/A: rRNA
RNA family global rRNA
Volume 279.20 Å3
Hydrophobicity 0.137
Hydrophilicity 1.046
Buriedness 0.638
Don/acc character 0.679
SiteScore 1.093
D Score 0.934
Kd