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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 3wqy

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 3.30
System mass 230.53 kDa
Deposition year 2014
Molecule type RNA/Protein
# RNA entities 1
Organism Archaeoglobus
RCSB PDB Entry 3wqy
Reference Naganuma Masahiro, Sekine Shun-ichi, Chong Yeeting Esther, Guo Min, Yang Xiang-Lei, Gamper Howard, Hou Ya-Ming, Schimmel Paul, Yokoyama Shigeyuki. 2014. The selective tRNA aminoacylation mechanism based on a single G•U pair Nature
Equivalence Class NR_all_69638.3
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 A5A
Residue . / 1001
Chain D / A
Non-redundant True
Interacting RNA chains C/C
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains C/C: tRNA
RNA family global tRNA
Volume 372.50 Å3
Hydrophobicity 1.077
Hydrophilicity 1.121
Buriedness 0.824
Don/acc character 0.865
SiteScore 1.084
D Score 1.069
Kd