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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 7zj4

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 4.43
System mass 121.36 kDa
Deposition year 2022
Molecule type RNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 7zj4
Equivalence Class NR_all_13632.3
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 1TU
Residue . / 402
Chain C / E
Non-redundant True
Interacting RNA chains A/E
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/E: aptamer_rna
RNA family global aptamer_rna
Volume 328.59 Å3
Hydrophobicity 0.648
Hydrophilicity 0.857
Buriedness 0.674
Don/acc character 2.487
SiteScore 1.169
D Score 1.065
Kd

Compound J93
Residue . / 401
Chain B / E
Non-redundant True
Interacting RNA chains A/E
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/E: aptamer_rna
RNA family global aptamer_rna
Volume 195.51 Å3
Hydrophobicity 1.029
Hydrophilicity 0.754
Buriedness 0.638
Don/acc character 1.581
SiteScore 1.158
D Score 1.067
Kd