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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 1qru

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 87.99 kDa
Deposition year 1996
Molecule type RNA/Protein
# RNA entities 1
Organism Escherichia
RCSB PDB Entry 1qru
Reference Arnez John G., Steitz Thomas A.. 1996. Crystal Structures of Three Misacylating Mutants of Escherichia coli Glutaminyl-tRNA Synthetase Complexed with tRNAGln and ATP Biochemistry
Equivalence Class NR_all_31819.8
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 . / 999
Chain C / A
Non-redundant True
Interacting RNA chains A/B
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains A/B: tRNA
RNA family global tRNA
Volume 524.10 Å3
Hydrophobicity 0.868
Hydrophilicity 1.367
Buriedness 0.839
Don/acc character 0.692
SiteScore 1.094
D Score 0.998
Kd