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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 8hzj

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 2.60
System mass 24.50 kDa
Deposition year 2023
Molecule type RNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 8hzj
Reference Huang Kaiyi, Song Qianqian, Fang Mengyue, Yao Deqiang, Shen Xin, Xu Xiaochen, Chen Xianjun, Zhu Linyong, Yang Yi, Ren Aiming. 2024. Structural basis of a small monomeric Clivia fluorogenic RNA with a large Stokes shift Nature Chemical Biology
Equivalence Class NR_all_04219.3
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 O00
Residue . / 107
Chain I / A
Non-redundant True
Interacting RNA chains A/A
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/A: aptamer_rna
RNA family global aptamer_rna
Volume 328.94 Å3
Hydrophobicity 0.932
Hydrophilicity 0.776
Buriedness 0.625
Don/acc character 3.095
SiteScore 1.152
D Score 1.062
Kd

Compound O00
Residue . / 105
Chain N / B
Non-redundant False
Interacting RNA chains B/B
RNA environment detailled ion
RNA environment global RNA
RNA family chains B/B: aptamer_rna
RNA family global aptamer_rna
Volume 328.25 Å3
Hydrophobicity 1.077
Hydrophilicity 0.822
Buriedness 0.670
Don/acc character 3.145
SiteScore 1.173
D Score 1.074
Kd