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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 5btp

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 2.82
System mass 49.40 kDa
Deposition year 2015
Molecule type RNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 5btp
Reference Jones Christopher P, Ferré-D'Amaré Adrian R. 2015. Recognition of the bacterial alarmone ZMP through long-distance association of two RNA subdomains Nature Structural & Molecular Biology
Equivalence Class NR_all_72776.5
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 AMZ
Residue . / 108
Chain J / 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 153.66 Å3
Hydrophobicity 0.399
Hydrophilicity 0.947
Buriedness 0.705
Don/acc character 2.333
SiteScore 0.847
D Score 0.646
Kd 487nM

Compound AMZ
Residue . / 106
Chain Q / 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 615.34 Å3
Hydrophobicity 0.120
Hydrophilicity 1.284
Buriedness 0.731
Don/acc character 1.282
SiteScore 1.172
D Score 0.960
Kd 487nM