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 349.52 Å3
Hydrophobicity 0.423
Hydrophilicity 1.032
Buriedness 0.742
Don/acc character 1.740
SiteScore 0.903
D Score 0.884

Compound 2QB
Residue . / 107
Chain S / B
Non-redundant False
Interacting RNA chains B/B
Volume 338.88 Å3
Hydrophobicity 0.281
Hydrophilicity 1.033
Buriedness 0.742
Don/acc character 1.316
SiteScore 1.001
D Score 1.010