HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Complex 9bun

System information

Experimental technique X-ray
Experimental resolution 2.10
System mass 68.49 kDa
Deposition year 2024
Molecule type RNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 9bun
Reference Siwik Shea H, Wierzba Aleksandra J, Lennon Shelby R, Olenginski Lukasz T, Palmer Amy E, Batey Robert T. . Structural basis for ring-opening fluorescence by the RhoBAST RNA aptamer Nucleic Acids Research
Equivalence Class NR_all_17047.4
BGSU version: 4.48

Compound FH8
Residue . / 104
Chain H / A
Non-redundant True
Interacting RNA chains A/A
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/A: aptamer_rna
RNA family global aptamer_rna
Volume 61.40 Å3
Hydrophobicity 0.526
Hydrophilicity 0.911
Buriedness 0.540
Don/acc character 1.713
SiteScore 0.702
D Score 0.506
Kd

Compound FH8
Residue . / 105
Chain M / B
Non-redundant False
Interacting RNA chains B/B
RNA environment detailled ion
RNA environment global RNA
RNA family chains B/B: aptamer_rna
RNA family global aptamer_rna
Volume 79.23 Å3
Hydrophobicity 0.702
Hydrophilicity 1.046
Buriedness 0.615
Don/acc character 3.038
SiteScore 0.735
D Score 0.507
Kd

Compound FH8
Residue . / 106
Chain S / C
Non-redundant False
Interacting RNA chains C/C
RNA environment detailled ion
RNA environment global RNA
RNA family chains C/C: aptamer_rna
RNA family global aptamer_rna
Volume 85.41 Å3
Hydrophobicity 0.959
Hydrophilicity 0.944
Buriedness 0.594
Don/acc character 3.054
SiteScore 0.858
D Score 0.679
Kd

Compound FH8
Residue . / 104
Chain W / D
Non-redundant False
Interacting RNA chains D/D
RNA environment detailled ion
RNA environment global RNA
RNA family chains D/D: aptamer_rna
RNA family global aptamer_rna
Volume 86.78 Å3
Hydrophobicity 0.433
Hydrophilicity 0.837
Buriedness 0.545
Don/acc character 1.953
SiteScore 0.632
D Score 0.533
Kd