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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 1kod

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 Solution NMR
Experimental resolution N/A
System mass 8.27 kDa
Deposition year 1996
Molecule type RNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 1kod
Reference Yang Yinshan, Kochoyan Michel, Burgstaller Petra, Westhof Eric, Famulok Michael. 1996. Structural Basis of Ligand Discrimination by Two Related RNA Aptamers Resolved by NMR Spectroscopy Science
Equivalence Class NR_all_41220.1
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 CIR
Residue . / 1
Chain C / B
Non-redundant True
Interacting RNA chains A/A, B/B
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/A: aptamer_rna, B/B: aptamer_rna
RNA family global aptamer_rna
Volume 117.31 Å3
Hydrophobicity 0.501
Hydrophilicity 0.818
Buriedness 0.606
Don/acc character 1.857
SiteScore 0.838
D Score 0.661
Kd