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 True
Interacting RNA chains A/A
Volume 131.03 Å3
Hydrophobicity 0.411
Hydrophilicity 0.912
Buriedness 0.647
Don/acc character 2.502
SiteScore 0.888
D Score 0.819

Compound NAD
Residue . / 102
Chain D / A
Non-redundant False
Interacting RNA chains A/A
Volume 241.13 Å3
Hydrophobicity 0.090
Hydrophilicity 1.393
Buriedness 0.682
Don/acc character 1.199
SiteScore 1.140
D Score 0.895

Compound NAD
Residue . / 101
Chain E / B
Non-redundant False
Interacting RNA chains B/B
Volume 142.35 Å3
Hydrophobicity 0.415
Hydrophilicity 0.845
Buriedness 0.650
Don/acc character 3.295
SiteScore 0.876
D Score 0.825

Compound NMN
Residue . / 102
Chain F / B
Non-redundant True
Interacting RNA chains B/B
Volume 240.44 Å3
Hydrophobicity 0.133
Hydrophilicity 1.434
Buriedness 0.700
Don/acc character 1.227
SiteScore 1.151
D Score 0.892