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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 3k1v

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 2.20
System mass 11.18 kDa
Deposition year 2009
Molecule type RNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 3k1v
Reference Klein Daniel J, Edwards Thomas E, Ferré-D'Amaré Adrian R. 2009. Cocrystal structure of a class I preQ1 riboswitch reveals a pseudoknot recognizing an essential hypermodified nucleobase Nature Structural & Molecular Biology
Equivalence Class NR_all_95363.6
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 PRF
Residue . / 301
Chain B / A
Non-redundant True
Interacting RNA chains A/A
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/A: riboswitch
RNA family global riboswitch
Volume 258.97 Å3
Hydrophobicity 0.127
Hydrophilicity 1.302
Buriedness 0.723
Don/acc character 2.090
SiteScore 1.167
D Score 0.950
Kd