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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 8q5i

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 2.45
System mass 3022.58 kDa
Deposition year 2023
Molecule type RNA/Protein
# RNA entities 1
Organism Candida
RCSB PDB Entry 8q5i
Reference Kolosova O., Zgadzay Y., Stetsenko A., Atamas A., Wu C., Sachs M. S., Jenner L., Guskov A., Yusupov M.. 2023. Structural characterization of cephaeline binding to the eukaryotic ribosome using Cryo-Electron Microscopy Biopolymers and Cell
Equivalence Class NR_all_22526.9, NR_all_58155.3
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 K16
Residue . / 3402
Chain ZB / 1
Non-redundant True
Interacting RNA chains A/1
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains A/1: rRNA
RNA family global rRNA
Volume 813.25 Å3
Hydrophobicity 0.387
Hydrophilicity 1.208
Buriedness 0.801
Don/acc character 1.544
SiteScore 1.219
D Score 1.027
Kd

Compound K16
Residue . / 3403
Chain AC / 1
Non-redundant True
Interacting RNA chains A/1
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains A/1: rRNA
RNA family global rRNA
Volume 711.38 Å3
Hydrophobicity 0.375
Hydrophilicity 1.020
Buriedness 0.704
Don/acc character 1.499
SiteScore 1.008
D Score 1.030
Kd

Compound K16
Residue . / 1801
Chain NM / A
Non-redundant True
Interacting RNA chains TA/A
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains TA/A: rRNA
RNA family global rRNA
Volume 176.65 Å3
Hydrophobicity 0.379
Hydrophilicity 0.874
Buriedness 0.668
Don/acc character 4.471
SiteScore 0.968
D Score 0.807
Kd

Compound SPK
Residue . / 3401
Chain YB / 1
Non-redundant True
Interacting RNA chains A/1
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains A/1: rRNA
RNA family global rRNA
Volume 394.11 Å3
Hydrophobicity 0.073
Hydrophilicity 1.188
Buriedness 0.645
Don/acc character 1.386
SiteScore 1.114
D Score 0.940
Kd