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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 3k49

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 2.50
System mass 137.02 kDa
Deposition year 2009
Molecule type RNA/Protein
# RNA entities 1
Organism N/A
RCSB PDB Entry 3k49
Reference Zhu Deyu, Stumpf Craig R., Krahn Joseph M., Wickens Marvin, Hall Traci M. Tanaka. 2009. A 5′ cytosine binding pocket in Puf3p specifies regulation of mitochondrial mRNAs Proceedings of the National Academy of Sciences
Equivalence Class NR_all_92727.3
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 CIT
Residue . / 1
Chain G / A
Non-redundant True
Interacting RNA chains B/B
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains B/B: unknown
RNA family global unknown
Volume 106.67 Å3
Hydrophobicity 0.463
Hydrophilicity 0.714
Buriedness 0.575
Don/acc character 1.219
SiteScore 0.705
D Score 0.699
Kd

Compound CIT
Residue . / 3
Chain I / E
Non-redundant True
Interacting RNA chains F/F
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains F/F: unknown
RNA family global unknown
Volume 100.50 Å3
Hydrophobicity 0.474
Hydrophilicity 0.622
Buriedness 0.557
Don/acc character 1.296
SiteScore 0.723
D Score 0.733
Kd