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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 9h51

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 1339.46 kDa
Deposition year 2024
Molecule type RNA/Protein
# RNA entities 1
Organism Homo
RCSB PDB Entry 9h51
Equivalence Class NR_all_93855.32
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 NAD
Residue . / 1701
Chain IA / A
Non-redundant True
Interacting RNA chains B/A
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains B/A: rRNA
RNA family global rRNA
Volume 927.82 Å3
Hydrophobicity 0.299
Hydrophilicity 1.269
Buriedness 0.832
Don/acc character 0.867
SiteScore 1.090
D Score 1.025
Kd

Compound SPM
Residue . / 1702
Chain JA / A
Non-redundant True
Interacting RNA chains B/A
RNA environment detailled ion
RNA environment global RNA
RNA family chains B/A: rRNA
RNA family global rRNA
Volume 857.16 Å3
Hydrophobicity 0.137
Hydrophilicity 1.123
Buriedness 0.794
Don/acc character 3.889
SiteScore 1.214
D Score 1.050
Kd