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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 5hkv

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 3.66
System mass 1364.95 kDa
Deposition year 2016
Molecule type RNA/Protein
# RNA entities 1
Organism Staphylococcus
RCSB PDB Entry 5hkv
Reference Matzov Donna, Eyal Zohar, Benhamou Raphael I., Shalev-Benami Moran, Halfon Yehuda, Krupkin Miri, Zimmerman Ella, Rozenberg Haim, Bashan Anat, Fridman Micha, Yonath Ada. 2017. Structural insights of lincosamides targeting the ribosome of Staphylococcus aureus Nucleic Acids Research
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 3QB
Residue . / 3001
Chain BA / X
Non-redundant True
Interacting RNA chains A/X
RNA environment detailled ion, other
RNA environment global RNA/Other
RNA family chains A/X: rRNA
RNA family global rRNA
Volume 649.30 Å3
Hydrophobicity 0.440
Hydrophilicity 1.194
Buriedness 0.812
Don/acc character 1.186
SiteScore 1.226
D Score 1.038
Kd