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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 2zxu

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 2.75
System mass 119.95 kDa
Deposition year 2009
Molecule type RNA/Protein
# RNA entities 1
Organism Escherichia
RCSB PDB Entry 2zxu
Reference Chimnaronk Sarin, Forouhar Farhad, Sakai Junichi, Yao Min, Tron Cecile M., Atta Mohamed, Fontecave Marc, Hunt John F., Tanaka Isao. 2009. Snapshots of Dynamics in Synthesizing N6-Isopentenyladenosine at the tRNA Anticodon Biochemistry
Equivalence Class NR_all_19951.102
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 DST
Residue . / 317
Chain E / A
Non-redundant True
Interacting RNA chains C/C
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains C/C: tRNA
RNA family global tRNA
Volume 264.80 Å3
Hydrophobicity 0.551
Hydrophilicity 1.662
Buriedness 0.929
Don/acc character 0.433
SiteScore 1.154
D Score 0.956
Kd