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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 7y7q

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 2.05
System mass 247.63 kDa
Deposition year 2022
Molecule type RNA/Protein
# RNA entities 1
Organism N/A
RCSB PDB Entry 7y7q
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_35958.3
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 GTP
Residue . / 2005
Chain J / A
Non-redundant True
Interacting RNA chains C/C, D/D
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 -
Hydrophobicity -
Hydrophilicity -
Buriedness -
Don/acc character -
SiteScore -
D Score -
Kd

Compound GTP
Residue . / 1502
Chain L / B
Non-redundant True
Interacting RNA chains E/E
RNA environment detailled protein, ion, other
RNA environment global RNA/Other
RNA family chains E/E: synthetic construct
RNA family global synthetic construct
Volume 646.90 Å3
Hydrophobicity 0.111
Hydrophilicity 1.626
Buriedness 0.773
Don/acc character 0.678
SiteScore 1.050
D Score 0.874
Kd

Compound GTP
Residue . / 1509
Chain S / B
Non-redundant False
Interacting RNA chains E/E
RNA environment detailled protein, ion, other
RNA environment global RNA/Other
RNA family chains E/E: synthetic construct
RNA family global synthetic construct
Volume 793.36 Å3
Hydrophobicity 0.397
Hydrophilicity 1.825
Buriedness 0.787
Don/acc character 0.799
SiteScore 1.059
D Score 0.817
Kd