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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 9f37

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 1.91
System mass 278.28 kDa
Deposition year 2024
Molecule type RNA/Protein
# RNA entities 1
Organism Alphainfluenzavirus
RCSB PDB Entry 9f37
Reference Drncova Petra, Krischuns Tim, Naffakh Nadia, Cusack Stephen. 2023. High-resolution structure of a replication-initiation like configuration of influenza polymerase active site visualises the essential role of a conserved dibasic motif in the PA subunit preprint (bioRxiv)
Equivalence Class NR_all_19377.4
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 CTP
Residue . / 804
Chain J / B
Non-redundant True
Interacting RNA chains D/R
RNA environment detailled protein, ion, other
RNA environment global RNA/Other
RNA family chains D/R: unknown
RNA family global unknown
Volume -
Hydrophobicity -
Hydrophilicity -
Buriedness -
Don/acc character -
SiteScore -
D Score -
Kd

Compound GTP
Residue . / 805
Chain K / B
Non-redundant True
Interacting RNA chains D/R
RNA environment detailled protein, ion, other
RNA environment global RNA/Other
RNA family chains D/R: unknown
RNA family global unknown
Volume -
Hydrophobicity -
Hydrophilicity -
Buriedness -
Don/acc character -
SiteScore -
D Score -
Kd