HARIBOSS logo

HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 1n77

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 2.40
System mass 157.25 kDa
Deposition year 2002
Molecule type RNA/Protein
# RNA entities 1
Organism Thermus
RCSB PDB Entry 1n77
Reference Sekine Shun‐ichi, Nureki Osamu, Dubois Daniel Y., Bernier Stéphane, Chênevert Robert, Lapointe Jacques, Vassylyev Dmitry G., Yokoyama Shigeyuki. 2003. ATP binding by glutamyl‐tRNA synthetase is switched to the productive mode by tRNA binding The EMBO Journal
Equivalence Class NR_all_29085.3
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 ATP
Residue . / 600
Chain G / A
Non-redundant True
Interacting RNA chains A/C
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains A/C: tRNA
RNA family global tRNA
Volume 513.81 Å3
Hydrophobicity 0.636
Hydrophilicity 1.047
Buriedness 0.795
Don/acc character 0.649
SiteScore 1.065
D Score 1.076
Kd