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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4rdx

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 2.55
System mass 73.10 kDa
Deposition year 2014
Molecule type RNA/Protein
# RNA entities 1
Organism Thermus
RCSB PDB Entry 4rdx
Reference Tian Qingnan, Wang Caiyan, Liu Yuhuan, Xie Wei. 2015. Structural basis for recognition of G-1-containing tRNA by histidyl-tRNA synthetase Nucleic Acids Research
Equivalence Class NR_all_42401.1
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 . / 501
Chain C / A
Non-redundant True
Interacting RNA chains B/C
RNA environment detailled protein, other
RNA environment global RNA/Other
RNA family chains B/C: tRNA
RNA family global tRNA
Volume 439.38 Å3
Hydrophobicity 0.944
Hydrophilicity 1.177
Buriedness 0.902
Don/acc character 0.384
SiteScore 1.137
D Score 1.098
Kd