HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Complex 8ols

System information

Experimental technique X-ray
Experimental resolution 3.00
System mass 130.57 kDa
Deposition year 2023
Molecule type RNA
# RNA entities 1
Organism Oceanobacillus
RCSB PDB Entry 8ols
Reference Silvestri Ilaria, Manigrasso Jacopo, Andreani Alessandro, Brindani Nicoletta, Mas Caroline, Reiser Jean-Baptiste, Vidossich Pietro, Martino Gianfranco, McCarthy Andrew A., De Vivo Marco, Marcia Marco. . Targeting the conserved active site of splicing machines with specific and selective small molecule modulators Nature Communications

Compound EPE
Residue . / 445
Chain TA / A
Non-redundant False
Interacting RNA chains A/A
Volume 113.19 Å3
Hydrophobicity 0.003
Hydrophilicity 0.991
Buriedness 0.528
Don/acc character 5.337
SiteScore 0.551
D Score 0.491

Compound EPE
Residue . / 446
Chain UA / A
Non-redundant False
Interacting RNA chains A/A
Volume 50.08 Å3
Hydrophobicity 0.000
Hydrophilicity 1.098
Buriedness 0.573
Don/acc character 5.992
SiteScore 0.437
D Score 0.311

Compound SPM
Residue . / 443
Chain RA / A
Non-redundant False
Interacting RNA chains A/A
Volume 280.57 Å3
Hydrophobicity 0.219
Hydrophilicity 0.991
Buriedness 0.670
Don/acc character 0.887
SiteScore 0.786
D Score 0.756

Compound SPM
Residue . / 444
Chain SA / A
Non-redundant False
Interacting RNA chains A/A
Volume 295.32 Å3
Hydrophobicity 0.073
Hydrophilicity 0.961
Buriedness 0.629
Don/acc character 2.999
SiteScore 0.920
D Score 0.941

Compound VTE
Residue . / 447
Chain VA / A
Non-redundant True
Interacting RNA chains A/A
Volume 159.84 Å3
Hydrophobicity 0.028
Hydrophilicity 1.489
Buriedness 0.626
Don/acc character 3.095
SiteScore 0.810
D Score 0.648