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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 6lax

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 69.22 kDa
Deposition year 2019
Molecule type RNA/Protein
# RNA entities 1
Organism Bifidobacterium
RCSB PDB Entry 6lax
Reference Sun Aiai, Gasser Catherina, Li Fudong, Chen Hao, Mair Stefan, Krasheninina Olga, Micura Ronald, Ren Aiming. 2019. SAM-VI riboswitch structure and signature for ligand discrimination Nature Communications
Equivalence Class NR_all_47836.3
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 SAM
Residue . / 101
Chain F / A
Non-redundant True
Interacting RNA chains A/A
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/A: riboswitch
RNA family global riboswitch
Volume 83.35 Å3
Hydrophobicity 0.980
Hydrophilicity 0.878
Buriedness 0.705
Don/acc character 1.256
SiteScore 0.867
D Score 0.677
Kd

Compound SAM
Residue . / 101
Chain G / B
Non-redundant True
Interacting RNA chains E/B
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains E/B: riboswitch
RNA family global riboswitch
Volume 100.84 Å3
Hydrophobicity 1.268
Hydrophilicity 1.017
Buriedness 0.735
Don/acc character 1.260
SiteScore 0.771
D Score 0.719
Kd