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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 1asz

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 3.00
System mass 161.43 kDa
Deposition year 1995
Molecule type RNA/Protein
# RNA entities 1
Organism Saccharomyces
RCSB PDB Entry 1asz
Reference Cavarelli J., Eriani G., Rees B., Ruff M., Boeglin M., Mitschler A., Martin F., Gangloff J., Thierry J.C., Moras D.. 1994. The active site of yeast aspartyl‐tRNA synthetase: structural and functional aspects of the aminoacylation reaction. The EMBO Journal
Equivalence Class NR_all_24819.7
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 ATP
Residue . / 701
Chain E / A
Non-redundant True
Interacting RNA chains A/R
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains A/R: tRNA
RNA family global tRNA
Volume 766.95 Å3
Hydrophobicity 0.477
Hydrophilicity 1.257
Buriedness 0.876
Don/acc character 0.699
SiteScore 1.119
D Score 1.056
Kd

Compound ATP
Residue . / 701
Chain F / B
Non-redundant True
Interacting RNA chains B/S
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains B/S: tRNA
RNA family global tRNA
Volume 723.39 Å3
Hydrophobicity 0.923
Hydrophilicity 1.166
Buriedness 0.888
Don/acc character 0.797
SiteScore 1.127
D Score 1.093
Kd