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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 9d0h

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 X-ray
Experimental resolution 2.50
System mass 4571.47 kDa
Deposition year 2024
Molecule type RNA/Protein
# RNA entities 1
Organism Thermus
RCSB PDB Entry 9d0h
Reference Wu Kelvin J.Y., Aleksandrova Elena V., Robinson Paul J., Benedetto Amy E., Yu Meiyi, Tresco Ben I.C., See Dominic N.Y., Jiang Tong, Ramkissoon Antonio, Dunand Clémence F., Svetlov Maxim S., Lee Joonho, Polikanov Yury S., Myers Andrew G.. 2025. Why sulfur is important in lincosamide antibiotics Chem
Equivalence Class NR_all_35542.167, NR_all_97519.80
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 A1A1J
Residue . / 4103
Chain STA / 1A
Non-redundant True
Interacting RNA chains CB/1x, A/1A
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains A/1A: rRNA, CB/1x: tRNA
RNA family global multiple
Volume 794.39 Å3
Hydrophobicity 0.201
Hydrophilicity 1.732
Buriedness 0.768
Don/acc character 0.537
SiteScore 1.197
D Score 0.836
Kd

Compound A1A1J
Residue . / 3877
Chain YSC / 2A
Non-redundant True
Interacting RNA chains GD/2x, EB/2A
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains EB/2A: rRNA, GD/2x: tRNA
RNA family global multiple
Volume 775.87 Å3
Hydrophobicity 0.835
Hydrophilicity 1.199
Buriedness 0.797
Don/acc character 0.934
SiteScore 1.216
D Score 1.027
Kd