HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Complex 4nya

System information

Experimental technique X-ray
Experimental resolution 2.65
System mass 52.78 kDa
Deposition year 2013
Molecule type RNA
# RNA entities 1
Organism Escherichia
RCSB PDB Entry 4nya
Reference Warner Katherine Deigan, Homan Philip, Weeks Kevin M., Smith Alison G., Abell Chris, Ferré-D’Amaré Adrian R.. . Validating Fragment-Based Drug Discovery for Biological RNAs: Lead Fragments Bind and Remodel the TPP Riboswitch Specifically Chemistry & Biology

Compound 2QB
Residue . / 110
Chain L / A
Non-redundant True
Interacting RNA chains A/A
Volume 352.95 Å3
Hydrophobicity 0.376
Hydrophilicity 1.048
Buriedness 0.764
Don/acc character 1.705
SiteScore 1.024
D Score 0.839

Compound 2QB
Residue . / 107
Chain S / B
Non-redundant False
Interacting RNA chains B/B
Volume 343.69 Å3
Hydrophobicity 0.226
Hydrophilicity 0.996
Buriedness 0.753
Don/acc character 1.439
SiteScore 1.154
D Score 1.014