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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4x4s

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 3.25
System mass 132.72 kDa
Deposition year 2014
Molecule type RNA/Protein
# RNA entities 1
Organism Homo
RCSB PDB Entry 4x4s
Reference Kuhn Claus-D., Wilusz Jeremy E., Zheng Yuxuan, Beal Peter A., Joshua-Tor Leemor. 2015. On-Enzyme Refolding Permits Small RNA and tRNA Surveillance by the CCA-Adding Enzyme Cell
Equivalence Class NR_all_51503.3
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 CTP
Residue . / 501
Chain E / A
Non-redundant False
Interacting RNA chains B/B
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains B/B: tRNA
RNA family global tRNA
Volume 546.06 Å3
Hydrophobicity 0.098
Hydrophilicity 1.594
Buriedness 0.859
Don/acc character 0.626
SiteScore 1.108
D Score 0.936
Kd

Compound CTP
Residue . / 501
Chain L / C
Non-redundant False
Interacting RNA chains D/D
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains D/D: tRNA
RNA family global tRNA
Volume 502.50 Å3
Hydrophobicity 0.146
Hydrophilicity 1.517
Buriedness 0.849
Don/acc character 0.679
SiteScore 1.101
D Score 0.955
Kd