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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4y1m

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 3.00
System mass 76.14 kDa
Deposition year 2015
Molecule type RNA
# RNA entities 1
Organism Escherichia
RCSB PDB Entry 4y1m
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_83641.3
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 . / 212
Chain N / B
Non-redundant True
Interacting RNA chains A/B
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/B: riboswitch
RNA family global riboswitch
Volume 76.15 Å3
Hydrophobicity 0.089
Hydrophilicity 0.614
Buriedness 0.505
Don/acc character 2.467
SiteScore 0.803
D Score 0.659
Kd

Compound GTP
Residue . / 208
Chain GB / A
Non-redundant True
Interacting RNA chains B/A
RNA environment detailled ion
RNA environment global RNA
RNA family chains B/A: riboswitch
RNA family global riboswitch
Volume 89.52 Å3
Hydrophobicity 0.052
Hydrophilicity 0.740
Buriedness 0.472
Don/acc character 1.495
SiteScore 0.867
D Score 0.739
Kd