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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4y1j

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 2.24
System mass 70.75 kDa
Deposition year 2015
Molecule type RNA
# RNA entities 1
Organism Lactococcus
RCSB PDB Entry 4y1j
Reference Price Ian R., Gaballa Ahmed, Ding Fang, Helmann John D., Ke Ailong. 2015. Mn2+-Sensing Mechanisms of yybP-ykoY Orphan Riboswitches Molecular Cell
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 . / 201
Chain C / 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 -
Hydrophobicity -
Hydrophilicity -
Buriedness -
Don/acc character -
SiteScore -
D Score -
Kd

Compound GTP
Residue . / 202
Chain YA / B
Non-redundant False
Interacting RNA chains B/B
RNA environment detailled ion
RNA environment global RNA
RNA family chains B/B: riboswitch
RNA family global riboswitch
Volume 167.04 Å3
Hydrophobicity 0.022
Hydrophilicity 0.792
Buriedness 0.542
Don/acc character 2.849
SiteScore 0.869
D Score 0.719
Kd