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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4k4y

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 2.72
System mass 279.20 kDa
Deposition year 2013
Molecule type RNA/DNA/Protein
# RNA entities 1
Organism N/A
RCSB PDB Entry 4k4y
Reference Gong Peng, Kortus Matthew G., Nix Jay C., Davis Ralph E., Peersen Olve B.. 2013. Structures of Coxsackievirus, Rhinovirus, and Poliovirus Polymerase Elongation Complexes Solved by Engineering RNA Mediated Crystal Contacts PLoS ONE
Equivalence Class NR_all_79189.2
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 DCT
Residue . / 501
Chain Q / A
Non-redundant True
Interacting RNA chains B/B
RNA environment detailled DNA, protein, other
RNA environment global RNA/Other
RNA family chains B/B: unknown
RNA family global unknown
Volume 377.99 Å3
Hydrophobicity 0.353
Hydrophilicity 1.323
Buriedness 0.847
Don/acc character 0.562
SiteScore 0.890
D Score 0.748
Kd

Compound DCT
Residue . / 501
Chain V / E
Non-redundant True
Interacting RNA chains F/F
RNA environment detailled DNA, protein, other
RNA environment global RNA/Other
RNA family chains F/F: unknown
RNA family global unknown
Volume 478.83 Å3
Hydrophobicity 0.547
Hydrophilicity 1.303
Buriedness 0.848
Don/acc character 0.918
SiteScore 0.968
D Score 0.854
Kd

Compound DCT
Residue . / 501
Chain AA / I
Non-redundant True
Interacting RNA chains J/J
RNA environment detailled DNA, protein, other
RNA environment global RNA/Other
RNA family chains J/J: unknown
RNA family global unknown
Volume 248.33 Å3
Hydrophobicity 0.807
Hydrophilicity 1.267
Buriedness 0.862
Don/acc character 0.586
SiteScore 0.895
D Score 0.769
Kd

Compound DCT
Residue . / 501
Chain FA / M
Non-redundant True
Interacting RNA chains N/N
RNA environment detailled DNA, protein, other
RNA environment global RNA/Other
RNA family chains N/N: unknown
RNA family global unknown
Volume 279.55 Å3
Hydrophobicity 0.499
Hydrophilicity 1.280
Buriedness 0.859
Don/acc character 0.647
SiteScore 0.888
D Score 0.756
Kd