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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 8a5i

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 2.30
System mass 1341.56 kDa
Deposition year 2022
Molecule type RNA/Protein
# RNA entities 1
Organism Listeria
RCSB PDB Entry 8a5i
Reference Koller Timm O, Turnbull Kathryn J, Vaitkevicius Karolis, Crowe-McAuliffe Caillan, Roghanian Mohammad, Bulvas Ondřej, Nakamoto Jose A, Kurata Tatsuaki, Julius Christina, Atkinson Gemma C, Johansson Jörgen, Hauryliuk Vasili, Wilson Daniel N. 2022. Structural basis for HflXr-mediated antibiotic resistance in Listeria monocytogenes Nucleic Acids Research
Equivalence Class NR_all_41466.3
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 3QB
Residue . / 3156
Chain EG / A
Non-redundant True
Interacting RNA chains J/A
RNA environment detailled ion
RNA environment global RNA
RNA family chains J/A: rRNA
RNA family global rRNA
Volume 699.03 Å3
Hydrophobicity 0.420
Hydrophilicity 1.169
Buriedness 0.780
Don/acc character 1.442
SiteScore 1.205
D Score 1.027
Kd