HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Complex 8hba

System information

Experimental technique X-ray
Experimental resolution 2.64
System mass 38.59 kDa
Deposition year 2022
Molecule type RNA
# RNA entities 1
Organism Streptococcus
RCSB PDB Entry 8hba
Reference Peng Xuemei, Liao Wenjian, Lin Xiaowei, Lilley David M J, Huang Lin. . Crystal structures of the NAD+-II riboswitch reveal two distinct ligand-binding pockets Nucleic Acids Research

Compound NAD
Residue . / 101
Chain C / A
Non-redundant False
Interacting RNA chains A/A
Volume 182.82 Å3
Hydrophobicity 0.240
Hydrophilicity 0.879
Buriedness 0.621
Don/acc character 2.925
SiteScore 0.910
D Score 0.937

Compound NAD
Residue . / 102
Chain D / A
Non-redundant True
Interacting RNA chains A/A
Volume 240.44 Å3
Hydrophobicity 0.105
Hydrophilicity 1.458
Buriedness 0.694
Don/acc character 1.439
SiteScore 0.997
D Score 0.881

Compound NAD
Residue . / 101
Chain E / B
Non-redundant False
Interacting RNA chains B/B
Volume 162.92 Å3
Hydrophobicity 0.299
Hydrophilicity 0.882
Buriedness 0.674
Don/acc character 2.734
SiteScore 0.850
D Score 0.845

Compound NMN
Residue . / 102
Chain F / B
Non-redundant True
Interacting RNA chains B/B
Volume 238.38 Å3
Hydrophobicity 0.077
Hydrophilicity 1.452
Buriedness 0.704
Don/acc character 1.246
SiteScore 1.004
D Score 0.889