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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 6az4

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 2.98
System mass 13.94 kDa
Deposition year 2017
Molecule type RNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 6az4
Reference Zhang Wen, Tam Chun Pong, Zhou Lijun, Oh Seung Soo, Wang Jiawei, Szostak Jack W.. 2018. Structural Rationale for the Enhanced Catalysis of Nonenzymatic RNA Primer Extension by a Downstream Oligonucleotide Journal of the American Chemical Society
Equivalence Class NR_all_96856.1
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 GP3
Residue . / 101
Chain C / A
Non-redundant False
Interacting RNA chains B/B, A/A
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/A: synthetic construct, B/B: synthetic construct
RNA family global synthetic construct
Volume 114.22 Å3
Hydrophobicity 0.055
Hydrophilicity 0.620
Buriedness 0.453
Don/acc character 1.732
SiteScore 1.067
D Score 1.010
Kd