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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4www

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 4237.89 kDa
Deposition year 2014
Molecule type RNA/Protein
# RNA entities 1
Organism Escherichia
RCSB PDB Entry 4www
Reference Llano-Sotelo Beatriz, Dunkle Jack, Klepacki Dorota, Zhang Wen, Fernandes Prabhavathi, Cate Jamie H. D., Mankin Alexander S.. 2010. Binding and Action of CEM-101, a New Fluoroketolide Antibiotic That Inhibits Protein Synthesis Antimicrobial Agents and Chemotherapy
Equivalence Class NR_all_83717.187
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 EM1
Residue . / 3135
Chain EI / RA
Non-redundant True
Interacting RNA chains A/RA
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains A/RA: rRNA
RNA family global rRNA
Volume 256.91 Å3
Hydrophobicity 0.120
Hydrophilicity 0.956
Buriedness 0.626
Don/acc character 0.834
SiteScore 1.012
D Score 0.931
Kd