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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 6izp

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 Solution NMR
Experimental resolution N/A
System mass 10.33 kDa
Deposition year 2018
Molecule type RNA
# RNA entities 1
Organism Homo
RCSB PDB Entry 6izp
Reference Shibata Tomonori, Nagano Konami, Ueyama Morio, Ninomiya Kensuke, Hirose Tetsuro, Nagai Yoshitaka, Ishikawa Kinya, Kawai Gota, Nakatani Kazuhiko. 2021. Small molecule targeting r(UGGAA)n disrupts RNA foci and alleviates disease phenotype in Drosophila model Nature Communications
Equivalence Class NR_all_51853.1
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 B2R
Residue . / 101
Chain B / A
Non-redundant True
Interacting RNA chains A/A
RNA environment detailled other
RNA environment global RNA/Other
RNA family chains A/A: unknown
RNA family global unknown
Volume 47.33 Å3
Hydrophobicity 0.294
Hydrophilicity 1.027
Buriedness 0.602
Don/acc character 0.776
SiteScore 0.640
D Score 0.391
Kd

Compound B2R
Residue . / 102
Chain C / A
Non-redundant False
Interacting RNA chains A/A
RNA environment detailled other
RNA environment global RNA/Other
RNA family chains A/A: unknown
RNA family global unknown
Volume 56.94 Å3
Hydrophobicity 0.094
Hydrophilicity 1.088
Buriedness 0.550
Don/acc character 1.960
SiteScore 0.670
D Score 0.426
Kd