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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 9d0i

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 2.45
System mass 4571.72 kDa
Deposition year 2024
Molecule type RNA/Protein
# RNA entities 1
Organism Thermus
RCSB PDB Entry 9d0i
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 A1A1K
Residue . / 4105
Chain UTA / 1A
Non-redundant True
Interacting RNA chains A/1A, CB/1x
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains A/1A: rRNA, CB/1x: tRNA
RNA family global multiple
Volume 602.31 Å3
Hydrophobicity 0.272
Hydrophilicity 2.281
Buriedness 0.837
Don/acc character 0.416
SiteScore 1.243
D Score 0.698
Kd

Compound A1A1K
Residue . / 3886
Chain JTC / 2A
Non-redundant True
Interacting RNA chains EB/2A, GD/2x
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains EB/2A: rRNA, GD/2x: tRNA
RNA family global multiple
Volume 329.28 Å3
Hydrophobicity 0.634
Hydrophilicity 0.944
Buriedness 0.667
Don/acc character 0.878
SiteScore 0.998
D Score 1.033
Kd