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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 6cb3

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 1.89
System mass 72.55 kDa
Deposition year 2018
Molecule type RNA
# RNA entities 1
Organism Lactococcus
RCSB PDB Entry 6cb3
Reference Bachas Sharrol T., Ferré-D'Amaré Adrian R.. 2018. Convergent Use of Heptacoordination for Cation Selectivity by RNA and Protein Metalloregulators Cell Chemical Biology
Equivalence Class NR_all_18848.3
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 . / 219
Chain U / A
Non-redundant True
Interacting RNA chains B/B, A/A
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/A: riboswitch, B/B: riboswitch
RNA family global riboswitch
Volume 36.70 Å3
Hydrophobicity 0.142
Hydrophilicity 0.770
Buriedness 0.447
Don/acc character 2.816
SiteScore 0.629
D Score 0.438
Kd

Compound GTP
Residue . / 221
Chain AB / B
Non-redundant True
Interacting RNA chains B/B, A/A
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/A: riboswitch, B/B: riboswitch
RNA family global riboswitch
Volume -
Hydrophobicity -
Hydrophilicity -
Buriedness -
Don/acc character -
SiteScore -
D Score -
Kd