HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Complex 6ymi

System information

Experimental technique X-ray
Experimental resolution 2.50
System mass 72.85 kDa
Deposition year 2020
Molecule type RNA
# RNA entities 1
Organism Roseobacter
RCSB PDB Entry 6ymi
Reference Huang Lin, Liao Ting-Wei, Wang Jia, Ha Taekjip, Lilley David M J. . Crystal structure and ligand-induced folding of the SAM/SAH riboswitch Nucleic Acids Research

Compound AMP
Residue . / 102
Chain N / A
Non-redundant False
Interacting RNA chains B/B, A/A
Volume 66.89 Å3
Hydrophobicity 0.312
Hydrophilicity 1.015
Buriedness 0.571
Don/acc character 2.370
SiteScore 0.732
D Score 0.518

Compound AMP
Residue . / 103
Chain O / A
Non-redundant False
Interacting RNA chains B/B, A/A
Volume 382.10 Å3
Hydrophobicity 0.239
Hydrophilicity 1.064
Buriedness 0.685
Don/acc character 2.059
SiteScore 1.141
D Score 1.004

Compound AMP
Residue . / 102
Chain Q / C
Non-redundant False
Interacting RNA chains C/C, D/D
Volume 454.13 Å3
Hydrophobicity 0.425
Hydrophilicity 1.039
Buriedness 0.677
Don/acc character 1.812
SiteScore 1.137
D Score 1.008

Compound AMP
Residue . / 102
Chain S / F
Non-redundant False
Interacting RNA chains E/F, F/G
Volume 405.08 Å3
Hydrophobicity 0.275
Hydrophilicity 0.991
Buriedness 0.666
Don/acc character 1.942
SiteScore 1.138
D Score 1.017

Compound AMP
Residue . / 101
Chain T / G
Non-redundant False
Interacting RNA chains E/F, F/G
Volume 73.75 Å3
Hydrophobicity 0.246
Hydrophilicity 0.839
Buriedness 0.533
Don/acc character 4.957
SiteScore 0.733
D Score 0.543

Compound AMP
Residue . / 102
Chain V / I
Non-redundant False
Interacting RNA chains G/I, H/J
Volume 394.79 Å3
Hydrophobicity 0.429
Hydrophilicity 1.030
Buriedness 0.720
Don/acc character 1.639
SiteScore 1.167
D Score 1.037

Compound AMP
Residue . / 102
Chain X / M
Non-redundant False
Interacting RNA chains J/N, I/M
Volume 385.19 Å3
Hydrophobicity 0.229
Hydrophilicity 1.033
Buriedness 0.649
Don/acc character 2.012
SiteScore 1.119
D Score 0.993

Compound AMP
Residue . / 101
Chain Y / N
Non-redundant False
Interacting RNA chains J/N, I/M
Volume 65.51 Å3
Hydrophobicity 0.282
Hydrophilicity 0.986
Buriedness 0.567
Don/acc character 4.212
SiteScore 0.676
D Score 0.449

Compound AMP
Residue . / 201
Chain Z / O
Non-redundant False
Interacting RNA chains L/P, K/O
Volume 398.91 Å3
Hydrophobicity 0.339
Hydrophilicity 1.030
Buriedness 0.668
Don/acc character 1.565
SiteScore 1.132
D Score 1.005

Compound CBV
Residue . / 101
Chain P / C
Non-redundant True
Interacting RNA chains C/C
Volume 32.59 Å3
Hydrophobicity 0.330
Hydrophilicity 0.898
Buriedness 0.566
Don/acc character 0.767
SiteScore 0.684
D Score 0.467

Compound CBV
Residue . / 101
Chain U / I
Non-redundant True
Interacting RNA chains G/I
Volume 33.96 Å3
Hydrophobicity 0.327
Hydrophilicity 0.850
Buriedness 0.580
Don/acc character 0.679
SiteScore 0.595
D Score 0.353