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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 5vj9

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 1.57
System mass 21.98 kDa
Deposition year 2017
Molecule type RNA
# RNA entities 1
Organism Pseudomonas
RCSB PDB Entry 5vj9
Reference Reiss Caroline W., Strobel Scott A.. 2017. Structural basis for ligand binding to the guanidine-II riboswitch RNA
Equivalence Class NR_all_27657.3
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 SPM
Residue . / 102
Chain F / A
Non-redundant True
Interacting RNA chains A/A
RNA environment detailled other
RNA environment global RNA/Other
RNA family chains A/A: riboswitch
RNA family global riboswitch
Volume -
Hydrophobicity -
Hydrophilicity -
Buriedness -
Don/acc character -
SiteScore -
D Score -
Kd

Compound SPM
Residue . / 103
Chain I / B
Non-redundant False
Interacting RNA chains B/B
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains B/B: riboswitch
RNA family global riboswitch
Volume 156.07 Å3
Hydrophobicity 0.007
Hydrophilicity 0.798
Buriedness 0.486
Don/acc character 3.335
SiteScore 1.033
D Score 0.943
Kd

Compound SPM
Residue . / 104
Chain J / B
Non-redundant False
Interacting RNA chains B/B
RNA environment detailled ion, other
RNA environment global RNA/Other
RNA family chains B/B: riboswitch
RNA family global riboswitch
Volume 181.45 Å3
Hydrophobicity 0.006
Hydrophilicity 0.834
Buriedness 0.485
Don/acc character 4.577
SiteScore 1.048
D Score 0.959
Kd

Compound SPM
Residue . / 102
Chain L / C
Non-redundant False
Interacting RNA chains C/C
RNA environment detailled other
RNA environment global RNA/Other
RNA family chains C/C: riboswitch
RNA family global riboswitch
Volume -
Hydrophobicity -
Hydrophilicity -
Buriedness -
Don/acc character -
SiteScore -
D Score -
Kd

Compound SPM
Residue . / 102
Chain N / D
Non-redundant False
Interacting RNA chains D/D
RNA environment detailled other
RNA environment global RNA/Other
RNA family chains D/D: riboswitch
RNA family global riboswitch
Volume -
Hydrophobicity -
Hydrophilicity -
Buriedness -
Don/acc character -
SiteScore -
D Score -
Kd