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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4wfa

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 3.39
System mass 1362.37 kDa
Deposition year 2014
Molecule type RNA/Protein
# RNA entities 1
Organism Staphylococcus
RCSB PDB Entry 4wfa
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 EPE
Residue . / 3423
Chain IQ / 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 502.84 Å3
Hydrophobicity 0.082
Hydrophilicity 1.212
Buriedness 0.775
Don/acc character 1.868
SiteScore 0.992
D Score 0.741
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 260.68 Å3
Hydrophobicity 0.000
Hydrophilicity 1.576
Buriedness 0.808
Don/acc character 0.776
SiteScore 0.692
D Score 0.422
Kd

Compound EPE
Residue . / 3425
Chain KQ / 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 712.75 Å3
Hydrophobicity 0.033
Hydrophilicity 1.449
Buriedness 0.822
Don/acc character 1.943
SiteScore 1.233
D Score 0.961
Kd

Compound EPE
Residue . / 3426
Chain LQ / 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 410.23 Å3
Hydrophobicity 0.095
Hydrophilicity 1.786
Buriedness 0.919
Don/acc character 0.705
SiteScore 1.148
D Score 0.909
Kd

Compound ZLD
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 613.97 Å3
Hydrophobicity 0.278
Hydrophilicity 1.099
Buriedness 0.765
Don/acc character 2.137
SiteScore 1.195
D Score 1.040
Kd