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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 9fxo

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 Electron Microscopy
Experimental resolution 2.25
System mass 3633.51 kDa
Deposition year 2024
Molecule type RNA/Protein
# RNA entities 1
Organism Leishmania
RCSB PDB Entry 9fxo
Equivalence Class NR_all_82920.5, NR_all_46927.6
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 PAR
Residue . / 1978
Chain GJ / L1
Non-redundant True
Interacting RNA chains A/L1
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains A/L1: rRNA
RNA family global rRNA
Volume -
Hydrophobicity -
Hydrophilicity -
Buriedness -
Don/acc character -
SiteScore -
D Score -
Kd

Compound PAR
Residue . / 1728
Chain EO / L2
Non-redundant True
Interacting RNA chains B/L2
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains B/L2: rRNA
RNA family global rRNA
Volume 657.53 Å3
Hydrophobicity 0.428
Hydrophilicity 1.004
Buriedness 0.728
Don/acc character 1.451
SiteScore 1.027
D Score 1.049
Kd

Compound PAR
Residue . / 1729
Chain FO / L2
Non-redundant True
Interacting RNA chains YA/S1, B/L2
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains B/L2: rRNA, YA/S1: rRNA
RNA family global rRNA
Volume 212.66 Å3
Hydrophobicity 0.157
Hydrophilicity 1.136
Buriedness 0.712
Don/acc character 1.083
SiteScore 0.814
D Score 0.554
Kd

Compound PAR
Residue . / 208
Chain UP / L7
Non-redundant True
Interacting RNA chains G/L7, A/L1
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/L1: rRNA, G/L7: rRNA
RNA family global rRNA
Volume -
Hydrophobicity -
Hydrophilicity -
Buriedness -
Don/acc character -
SiteScore -
D Score -
Kd

Compound PAR
Residue . / 2445
Chain OW / S1
Non-redundant True
Interacting RNA chains YA/S1
RNA environment detailled ion
RNA environment global RNA
RNA family chains YA/S1: rRNA
RNA family global rRNA
Volume 167.38 Å3
Hydrophobicity 0.064
Hydrophilicity 1.084
Buriedness 0.700
Don/acc character 1.174
SiteScore 0.604
D Score 0.497
Kd

Compound PAR
Residue . / 2446
Chain PW / S1
Non-redundant True
Interacting RNA chains YA/S1
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains YA/S1: rRNA
RNA family global rRNA
Volume 50.76 Å3
Hydrophobicity 0.000
Hydrophilicity 1.098
Buriedness 0.587
Don/acc character 1.556
SiteScore 0.447
D Score 0.320
Kd