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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 1f1t

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 2.80
System mass 13.76 kDa
Deposition year 2000
Molecule type RNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 1f1t
Reference Baugh Christopher, Grate Dilârâ, Wilson Charles. 2000. 2.8 Å crystal structure of the malachite green aptamer 1 1Edited by J. A. Doudna Journal of Molecular Biology
Equivalence Class NR_all_74421.1
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 ROS
Residue . / 101
Chain J / 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 399.25 Å3
Hydrophobicity 1.450
Hydrophilicity 0.803
Buriedness 0.699
Don/acc character 1.460
SiteScore 1.197
D Score 1.098
Kd 40nM