Harnessing RIBOnucleic acid – Small molecules Structures

Complex 4nya

System information

Experimental technique X-ray
Experimental resolution 2.65
System mass 52.78
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

Pocket 2QB_.:L/110:A

Compound 2QB
Non-redundant False
Interacting RNA chains A/A
Volume 322.42
Hydrophobicity 0.333
Hydrophilicity 1.175
Buriedness 0.766
Don/acc character 0.606
SiteScore 0.890
D Score 0.817

Pocket 2QB_.:S/107:B

Compound 2QB
Non-redundant True
Interacting RNA chains B/B
Volume 330.99
Hydrophobicity 0.181
Hydrophilicity 1.152
Buriedness 0.743
Don/acc character 0.780
SiteScore 0.985
D Score 0.952