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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 8btk

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 3.50
System mass 4037.98 kDa
Deposition year 2022
Molecule type RNA/Protein
# RNA entities 1
Organism Oryctolagus
RCSB PDB Entry 8btk
Reference Jaskolowski Mateusz, Jomaa Ahmad, Gamerdinger Martin, Shrestha Sandeep, Leibundgut Marc, Deuerling Elke, Ban Nenad. 2023. Molecular basis of the TRAP complex function in ER protein biogenesis Nature Structural & Molecular Biology
Equivalence Class NR_all_21280.51, NR_all_06650.50
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 SPM
Residue . / 4911
Chain YC / B5
Non-redundant True
Interacting RNA chains A/B5
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains A/B5: rRNA
RNA family global rRNA
Volume 647.93 Å3
Hydrophobicity 0.163
Hydrophilicity 1.468
Buriedness 0.792
Don/acc character 0.907
SiteScore 1.063
D Score 0.936
Kd

Compound SPM
Residue . / 4914
Chain BD / B5
Non-redundant True
Interacting RNA chains A/B5
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains A/B5: rRNA
RNA family global rRNA
Volume -
Hydrophobicity -
Hydrophilicity -
Buriedness -
Don/acc character -
SiteScore -
D Score -
Kd

Compound SPM
Residue . / 1909
Chain YZ / A2
Non-redundant True
Interacting RNA chains ZA/A2
RNA environment detailled ion
RNA environment global RNA
RNA family chains ZA/A2: rRNA
RNA family global rRNA
Volume 657.87 Å3
Hydrophobicity 0.323
Hydrophilicity 0.980
Buriedness 0.775
Don/acc character 3.365
SiteScore 1.213
D Score 1.086
Kd