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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4x4u

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 2.70
System mass 252.68 kDa
Deposition year 2014
Molecule type RNA/Protein
# RNA entities 1
Organism Homo
RCSB PDB Entry 4x4u
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_49730.3, NR_all_33059.1
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 APC
Residue . / 501
Chain I / 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 550.52 Å3
Hydrophobicity 0.178
Hydrophilicity 1.725
Buriedness 0.852
Don/acc character 0.705
SiteScore 1.103
D Score 0.889
Kd

Compound APC
Residue . / 501
Chain P / F
Non-redundant True
Interacting RNA chains G/G
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains G/G: unknown
RNA family global unknown
Volume 729.56 Å3
Hydrophobicity 0.193
Hydrophilicity 1.283
Buriedness 0.784
Don/acc character 0.473
SiteScore 1.058
D Score 0.992
Kd