HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Complex 6qir

System information

Experimental technique X-ray
Experimental resolution 1.53
System mass 12.26 kDa
Deposition year 2019
Molecule type RNA
# RNA entities 1
Organism Homo
RCSB PDB Entry 6qir
Reference Mukherjee Sanjukta, Błaszczyk Leszek, Rypniewski Wojciech, Falschlunger Christoph, Micura Ronald, Murata Asako, Dohno Chikara, Nakatani Kazuhiko, Kiliszek Agnieszka. . Structural insights into synthetic ligands targeting A–A pairs in disease-related CAG RNA repeats Nucleic Acids Research
Equivalence Class NR_all_99409.3
BGSU version: 4.48

Compound J48
Residue . / 101
Chain E / A
Non-redundant False
Interacting RNA chains B/B, A/A
RNA environment detailled other
RNA environment global RNA/Other
RNA family chains A/A: unknown, B/B: unknown
RNA family global unknown
Volume 213.69 Å3
Hydrophobicity 0.300
Hydrophilicity 0.795
Buriedness 0.563
Don/acc character 2.812
SiteScore 1.088
D Score 0.995
Kd —

Compound J48
Residue . / 102
Chain F / A
Non-redundant False
Interacting RNA chains B/B, A/A
RNA environment detailled other
RNA environment global RNA/Other
RNA family chains A/A: unknown, B/B: unknown
RNA family global unknown
Volume 220.21 Å3
Hydrophobicity 0.367
Hydrophilicity 0.833
Buriedness 0.566
Don/acc character 2.543
SiteScore 1.064
D Score 0.960
Kd —

Compound J48
Residue . / 101
Chain G / C
Non-redundant False
Interacting RNA chains D/D, C/C
RNA environment detailled other
RNA environment global RNA/Other
RNA family chains C/C: unknown, D/D: unknown
RNA family global unknown
Volume 131.71 Å3
Hydrophobicity 0.520
Hydrophilicity 0.862
Buriedness 0.589
Don/acc character 2.816
SiteScore 0.956
D Score 0.813
Kd —

Compound J48
Residue . / 101
Chain H / D
Non-redundant False
Interacting RNA chains D/D, C/C
RNA environment detailled other
RNA environment global RNA/Other
RNA family chains C/C: unknown, D/D: unknown
RNA family global unknown
Volume 231.87 Å3
Hydrophobicity 0.430
Hydrophilicity 0.757
Buriedness 0.548
Don/acc character 2.772
SiteScore 1.104
D Score 1.022
Kd —