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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4wfb

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 3.43
System mass 1367.05 kDa
Deposition year 2014
Molecule type RNA/Protein
# RNA entities 1
Organism Staphylococcus
RCSB PDB Entry 4wfb
Reference Eyal Zohar, Matzov Donna, Krupkin Miri, Wekselman Itai, Paukner Susanne, Zimmerman Ella, Rozenberg Haim, Bashan Anat, Yonath Ada. 2015. Structural insights into species-specific features of the ribosome from the pathogen Staphylococcus aureus Proceedings of the National Academy of Sciences
Equivalence Class NR_all_90633.30
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 3LK
Residue . / 3001
Chain CA / X
Non-redundant True
Interacting RNA chains A/X
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/X: rRNA
RNA family global rRNA
Volume 674.00 Å3
Hydrophobicity 0.359
Hydrophilicity 1.185
Buriedness 0.769
Don/acc character 1.397
SiteScore 1.198
D Score 1.015
Kd

Compound EPE
Residue . / 3421
Chain GQ / X
Non-redundant True
Interacting RNA chains A/X
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains A/X: rRNA
RNA family global rRNA
Volume 383.47 Å3
Hydrophobicity 0.014
Hydrophilicity 1.292
Buriedness 0.791
Don/acc character 2.196
SiteScore 0.943
D Score 0.648
Kd

Compound EPE
Residue . / 3422
Chain HQ / X
Non-redundant True
Interacting RNA chains A/X
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains A/X: rRNA
RNA family global rRNA
Volume -
Hydrophobicity -
Hydrophilicity -
Buriedness -
Don/acc character -
SiteScore -
D Score -
Kd

Compound EPE
Residue . / 3423
Chain IQ / X
Non-redundant True
Interacting RNA chains A/X
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/X: rRNA
RNA family global rRNA
Volume 61.40 Å3
Hydrophobicity 0.014
Hydrophilicity 0.615
Buriedness 0.522
Don/acc character 4.847
SiteScore 1.110
D Score 1.048
Kd

Compound EPE
Residue . / 3424
Chain JQ / X
Non-redundant True
Interacting RNA chains A/X
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains A/X: rRNA
RNA family global rRNA
Volume 242.16 Å3
Hydrophobicity 0.019
Hydrophilicity 0.707
Buriedness 0.519
Don/acc character 3.122
SiteScore 0.945
D Score 1.021
Kd