HARIBOSS logo

HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 3t1h

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 3.11
System mass 790.49 kDa
Deposition year 2011
Molecule type RNA/Protein
# RNA entities 1
Organism Thermus
RCSB PDB Entry 3t1h
Reference Vendeix Franck A.P., Murphy Frank V., Cantara William A., Leszczyńska Grażyna, Gustilo Estella M., Sproat Brian, Malkiewicz Andrzej, Agris Paul F.. 2012. Human tRNALys3UUU Is Pre-Structured by Natural Modifications for Cognate and Wobble Codon Binding through Keto–Enol Tautomerism Journal of Molecular Biology
Equivalence Class NR_all_65795.87
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 PAR
Residue . / 1783
Chain XG / A
Non-redundant False
Interacting RNA chains A/A
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/A: rRNA
RNA family global rRNA
Volume 51.45 Å3
Hydrophobicity 0.117
Hydrophilicity 0.942
Buriedness 0.563
Don/acc character 3.654
SiteScore 0.734
D Score 0.528
Kd