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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 1f27

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 1.30
System mass 9.98 kDa
Deposition year 2000
Molecule type RNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 1f27
Reference Nix Jay, Sussman Django, Wilson Charles. 2000. The 1.3 å crystal structure of a biotin-binding pseudoknot and the basis for RNA molecular recognition 1 1Edited by I. Tinoco Journal of Molecular Biology
Equivalence Class NR_all_06439.1
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 BTN
Residue . / 33
Chain H / A
Non-redundant True
Interacting RNA chains A/A, B/B
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/A: unknown, B/B: unknown
RNA family global unknown
Volume 175.27 Å3
Hydrophobicity 0.749
Hydrophilicity 1.014
Buriedness 0.690
Don/acc character 1.616
SiteScore 1.143
D Score 1.014
Kd 1uM