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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 7kvt

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 2.73
System mass 28.24 kDa
Deposition year 2020
Molecule type RNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 7kvt
Reference Truong Lynda, Kooshapur Hamed, Dey Sourav Kumar, Li Xing, Tjandra Nico, Jaffrey Samie R., Ferré-D’Amaré Adrian R.. 2022. The fluorescent aptamer Squash extensively repurposes the adenine riboswitch fold Nature Chemical Biology
Equivalence Class NR_all_30254.3
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 2ZY
Residue . / 101
Chain B / B
Non-redundant True
Interacting RNA chains A/B
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/B: aptamer_rna
RNA family global aptamer_rna
Volume 311.44 Å3
Hydrophobicity 1.545
Hydrophilicity 0.830
Buriedness 0.707
Don/acc character 1.939
SiteScore 1.197
D Score 1.094
Kd