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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 7pjv

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 3.10
System mass 2321.99 kDa
Deposition year 2021
Molecule type RNA/Protein
# RNA entities 1
Organism Escherichia
RCSB PDB Entry 7pjv
Reference Petrychenko Valentyn, Peng Bee-Zen, de A. P. Schwarzer Ana C., Peske Frank, Rodnina Marina V., Fischer Niels. 2021. Structural mechanism of GTPase-powered ribosome-tRNA movement Nature Communications
Equivalence Class NR_all_83717.187, NR_all_56726.172
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 AM2
Residue . / 1648
Chain YN / a
Non-redundant True
Interacting RNA chains HA/a
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains HA/a: rRNA
RNA family global rRNA
Volume 587.90 Å3
Hydrophobicity 0.161
Hydrophilicity 1.120
Buriedness 0.729
Don/acc character 2.624
SiteScore 1.021
D Score 1.012
Kd

Compound AM2
Residue . / 1652
Chain CO / a
Non-redundant True
Interacting RNA chains HA/a
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains HA/a: rRNA
RNA family global rRNA
Volume 131.03 Å3
Hydrophobicity 0.157
Hydrophilicity 1.021
Buriedness 0.691
Don/acc character 1.498
SiteScore 0.768
D Score 0.533
Kd

Compound AM2
Residue . / 1657
Chain HO / a
Non-redundant True
Interacting RNA chains HA/a
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains HA/a: rRNA
RNA family global rRNA
Volume 267.20 Å3
Hydrophobicity 0.041
Hydrophilicity 1.575
Buriedness 0.778
Don/acc character 1.151
SiteScore 0.723
D Score 0.570
Kd

Compound GDP
Residue . / 801
Chain RP / x
Non-redundant True
Interacting RNA chains H/A
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains H/A: rRNA
RNA family global rRNA
Volume 428.06 Å3
Hydrophobicity 0.217
Hydrophilicity 1.804
Buriedness 0.819
Don/acc character 0.706
SiteScore 1.081
D Score 0.843
Kd