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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 7y7p

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 249.14 kDa
Deposition year 2022
Molecule type RNA/Protein
# RNA entities 1
Organism N/A
RCSB PDB Entry 7y7p
Reference Cui Ruixue, Li Hao, Zhao Jin, Li Xuhang, Gan Jianhua, Ma Jinbiao. 2022. Structural insights into the dual activities of the two-barrel RNA polymerase QDE-1 Nucleic Acids Research
Equivalence Class NR_all_67617.3
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 ZAN
Residue . / 1504
Chain J / A
Non-redundant False
Interacting RNA chains D/D, C/C
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains C/C: synthetic construct, D/D: synthetic construct
RNA family global synthetic construct
Volume 78.89 Å3
Hydrophobicity 0.181
Hydrophilicity 1.354
Buriedness 0.978
Don/acc character 0.443
SiteScore 0.940
D Score 0.769
Kd

Compound ZAN
Residue . / 1506
Chain P / B
Non-redundant False
Interacting RNA chains F/J, E/E
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains E/E: synthetic construct, F/J: synthetic construct
RNA family global synthetic construct
Volume 285.03 Å3
Hydrophobicity 0.863
Hydrophilicity 0.946
Buriedness 0.785
Don/acc character 1.066
SiteScore 0.974
D Score 0.972
Kd