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HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 9dts

Legend

Pocket colors by molecule type

 RNA

 Protein

 DNA

These colors appear when a pocket is selected (the structure fades to show the pocket surface). Colors from the molecule-type palette (RNA / protein / DNA).

System information

Experimental technique X-ray
Experimental resolution 1.69
System mass 194.60 kDa
Deposition year 2024
Molecule type RNA/Protein
# RNA entities 1
Organism Homo
RCSB PDB Entry 9dts
Reference Conley James F., Brown Lauren E., McNeely James H., Pelletier Jerry, Porco John A., Allen Karen N.. 2025. Structural Basis for the Improved RNA Clamping of Amidino-Rocaglates to eIF4A1 ACS Omega
Equivalence Class NR_all_45897.2, NR_all_85544.2
BGSU version: 4.52

Pockets List

Legend

Cell colors for SiteScore and D Score:

 Favourable

 Intermediate

 Unfavourable

 Not available

ScoreThresholdMeaning
SiteScore< 0.8Non-drug binding site
SiteScore0.8 – 1.0Potential drug binding site
SiteScore> 1.0Promising binding site
D Score< 0.83Undruggable
D Score0.83 – 0.98Difficult
D Score> 0.98Druggable

Tick a pocket below to highlight it in the 3D structure above.

Compound A1BB1
Residue . / 503
Chain Q / D
Non-redundant True
Interacting RNA chains H/Z
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains H/Z: unknown
RNA family global unknown
Volume 190.37 Å3
Hydrophobicity 0.802
Hydrophilicity 0.582
Buriedness 0.586
Don/acc character 1.567
SiteScore 0.788
D Score 0.813
Kd

Compound A1BB1
Residue . / 101
Chain R / W
Non-redundant False
Interacting RNA chains E/W
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains E/W: unknown
RNA family global unknown
Volume 236.33 Å3
Hydrophobicity 0.845
Hydrophilicity 0.775
Buriedness 0.630
Don/acc character 1.220
SiteScore 0.895
D Score 0.923
Kd

Compound A1BB1
Residue . / 101
Chain S / X
Non-redundant False
Interacting RNA chains F/X
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains F/X: unknown
RNA family global unknown
Volume 201.34 Å3
Hydrophobicity 0.875
Hydrophilicity 0.586
Buriedness 0.581
Don/acc character 1.299
SiteScore 0.867
D Score 0.915
Kd

Compound A1BB1
Residue . / 101
Chain T / Y
Non-redundant False
Interacting RNA chains G/Y
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains G/Y: unknown
RNA family global unknown
Volume 250.05 Å3
Hydrophobicity 0.767
Hydrophilicity 0.842
Buriedness 0.597
Don/acc character 1.309
SiteScore 0.949
D Score 0.995
Kd