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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 6cc1

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 2.54
System mass 70.05 kDa
Deposition year 2018
Molecule type RNA
# RNA entities 1
Organism Lactococcus
RCSB PDB Entry 6cc1
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 . / 214
Chain P / A
Non-redundant False
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 103.24 Å3
Hydrophobicity 0.391
Hydrophilicity 0.680
Buriedness 0.554
Don/acc character 1.244
SiteScore 0.859
D Score 0.713
Kd

Compound GTP
Residue . / 201
Chain Q / B
Non-redundant False
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 22.98 Å3
Hydrophobicity 0.125
Hydrophilicity 0.743
Buriedness 0.498
Don/acc character 2.849
SiteScore 0.594
D Score 0.382
Kd