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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 7b5k

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 2.90
System mass 2196.77 kDa
Deposition year 2020
Molecule type RNA/Protein
# RNA entities 1
Organism Escherichia
RCSB PDB Entry 7b5k
Equivalence Class NR_all_83717.187, NR_all_56726.172, NR_all_20230.1
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 ERY
Residue . / 3237
Chain HK / A
Non-redundant True
Interacting RNA chains A/A
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains A/A: rRNA
RNA family global rRNA
Volume 557.03 Å3
Hydrophobicity 0.864
Hydrophilicity 1.284
Buriedness 0.832
Don/acc character 0.753
SiteScore 1.086
D Score 1.016
Kd

Compound SY5
Residue . / 1714
Chain YO / a
Non-redundant True
Interacting RNA chains CB/z, FA/a
RNA environment detailled ion
RNA environment global RNA
RNA family chains CB/z: tRNA, FA/a: rRNA
RNA family global multiple
Volume 770.04 Å3
Hydrophobicity 0.210
Hydrophilicity 1.093
Buriedness 0.727
Don/acc character 3.050
SiteScore 1.170
D Score 1.020
Kd

Compound SY5
Residue . / 1715
Chain ZO / a
Non-redundant True
Interacting RNA chains FA/a
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains FA/a: rRNA
RNA family global rRNA
Volume 141.66 Å3
Hydrophobicity 0.068
Hydrophilicity 1.261
Buriedness 0.653
Don/acc character 3.919
SiteScore 0.781
D Score 0.487
Kd