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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 1qf6

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 2.90
System mass 99.17 kDa
Deposition year 1999
Molecule type RNA/Protein
# RNA entities 1
Organism Escherichia
RCSB PDB Entry 1qf6
Reference Sankaranarayanan Rajan, Dock-Bregeon Anne-Catherine, Romby Pascale, Caillet Joel, Springer Mathias, Rees Bernard, Ehresmann Chantal, Ehresmann Bernard, Moras Dino. 1999. The Structure of Threonyl-tRNA Synthetase-tRNAThr Complex Enlightens Its Repressor Activity and Reveals an Essential Zinc Ion in the Active Site Cell
Equivalence Class NR_all_85174.1
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 AMP
Residue . / 1002
Chain D / 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 502.15 Å3
Hydrophobicity 0.580
Hydrophilicity 1.408
Buriedness 0.882
Don/acc character 0.547
SiteScore 1.123
D Score 1.010
Kd