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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 6c8j

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 1.50
System mass 10.88 kDa
Deposition year 2018
Molecule type RNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 6c8j
Reference Zhang Wen, Walton Travis, Li Li, Szostak Jack W. 2018. Crystallographic observation of nonenzymatic RNA primer extension eLife
Equivalence Class NR_all_01949.9
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 EQ4
Residue . / 101
Chain C / A
Non-redundant True
Interacting RNA chains B/B, A/A
RNA environment detailled other
RNA environment global RNA/Other
RNA family chains A/A: synthetic construct, B/B: synthetic construct
RNA family global synthetic construct
Volume -
Hydrophobicity -
Hydrophilicity -
Buriedness -
Don/acc character -
SiteScore -
D Score -
Kd

Compound EQ4
Residue . / 102
Chain D / A
Non-redundant True
Interacting RNA chains B/B, A/A
RNA environment detailled other
RNA environment global RNA/Other
RNA family chains A/A: synthetic construct, B/B: synthetic construct
RNA family global synthetic construct
Volume 24.01 Å3
Hydrophobicity 0.458
Hydrophilicity 0.747
Buriedness 0.472
Don/acc character 2.475
SiteScore 0.539
D Score 0.510
Kd

Compound EQ4
Residue . / 103
Chain E / A
Non-redundant True
Interacting RNA chains A/A
RNA environment detailled other
RNA environment global RNA/Other
RNA family chains A/A: synthetic construct
RNA family global synthetic construct
Volume -
Hydrophobicity -
Hydrophilicity -
Buriedness -
Don/acc character -
SiteScore -
D Score -
Kd

Compound EQ4
Residue . / 101
Chain K / B
Non-redundant True
Interacting RNA chains B/B
RNA environment detailled other
RNA environment global RNA/Other
RNA family chains B/B: synthetic construct
RNA family global synthetic construct
Volume -
Hydrophobicity -
Hydrophilicity -
Buriedness -
Don/acc character -
SiteScore -
D Score -
Kd