HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Complex 3k0j

System information

Experimental technique X-ray
Experimental resolution 3.10
System mass 101.40 kDa
Deposition year 2009
Molecule type RNA/Protein
# RNA entities 1
Organism Escherichia
RCSB PDB Entry 3k0j
Reference Kulshina Nadia, Edwards Thomas E., Ferré-D'Amaré Adrian R.. . Thermodynamic analysis of ligand binding and ligand binding-induced tertiary structure formation by the thiamine pyrophosphate riboswitch RNA

Compound TPP
Residue . / 601
Chain G / E
Non-redundant False
Interacting RNA chains E/E
RNA environment detailled ion
RNA environment global RNA
RNA family chains E/E: riboswitch
RNA family global riboswitch
Volume 762.15 Å3
Hydrophobicity 0.262
Hydrophilicity 1.204
Buriedness 0.741
Don/acc character 1.591
SiteScore 1.179
D Score 0.992
Kd

Compound TPP
Residue . / 602
Chain N / F
Non-redundant False
Interacting RNA chains F/F
RNA environment detailled ion
RNA environment global RNA
RNA family chains F/F: riboswitch
RNA family global riboswitch
Volume 688.40 Å3
Hydrophobicity 0.225
Hydrophilicity 1.104
Buriedness 0.721
Don/acc character 1.033
SiteScore 1.166
D Score 1.013
Kd