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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 5vp2

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 2.80
System mass 4571.58 kDa
Deposition year 2017
Molecule type RNA/Protein
# RNA entities 1
Organism Thermus
RCSB PDB Entry 5vp2
Reference Osterman Ilya A., Khabibullina Nelli F., Komarova Ekaterina S., Kasatsky Pavel, Kartsev Victor G., Bogdanov Alexey A., Dontsova Olga A., Konevega Andrey L., Sergiev Petr V., Polikanov Yury S.. 2017. Madumycin II inhibits peptide bond formation by forcing the peptidyl transferase center into an inactive state Nucleic Acids Research
Equivalence Class NR_all_97519.80
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 M2D
Residue . / 4118
Chain HUA / 1A
Non-redundant True
Interacting RNA chains A/1A
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/1A: rRNA
RNA family global rRNA
Volume 955.60 Å3
Hydrophobicity 0.441
Hydrophilicity 1.765
Buriedness 0.802
Don/acc character 0.534
SiteScore 1.220
D Score 0.846
Kd

Compound M2D
Residue . / 3864
Chain XTC / 2A
Non-redundant True
Interacting RNA chains EB/2A
RNA environment detailled ion
RNA environment global RNA
RNA family chains EB/2A: rRNA
RNA family global rRNA
Volume 654.79 Å3
Hydrophobicity 0.917
Hydrophilicity 1.209
Buriedness 0.807
Don/acc character 0.674
SiteScore 1.223
D Score 1.030
Kd