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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 5v3f

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 1.70
System mass 22.43 kDa
Deposition year 2017
Molecule type RNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 5v3f
Reference Trachman Robert J, Demeshkina Natalia A, Lau Matthew W L, Panchapakesan Shanker Shyam S, Jeng Sunny C Y, Unrau Peter J, Ferré-D'Amaré Adrian R. 2017. Structural basis for high-affinity fluorophore binding and activation by RNA Mango Nature Chemical Biology
Equivalence Class NR_all_93701.3
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 74G
Residue . / 104
Chain F / A
Non-redundant True
Interacting RNA chains A/A
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/A: aptamer_rna
RNA family global aptamer_rna
Volume 256.91 Å3
Hydrophobicity 0.966
Hydrophilicity 0.642
Buriedness 0.608
Don/acc character 3.574
SiteScore 1.167
D Score 1.095
Kd ~3nM

Compound 74G
Residue . / 104
Chain J / 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 250.73 Å3
Hydrophobicity 0.813
Hydrophilicity 0.634
Buriedness 0.587
Don/acc character 3.501
SiteScore 1.154
D Score 1.086
Kd ~3nM