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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4nfo

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 1.96
System mass 15.50 kDa
Deposition year 2013
Molecule type RNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 4nfo
Reference Phelps Kelly J., Ibarra-Soza José M., Tran Kiet, Fisher Andrew J., Beal Peter A.. 2014. Click Modification of RNA at Adenosine: Structure and Reactivity of 7-Ethynyl- and 7-Triazolyl-8-aza-7-deazaadenosine in RNA ACS Chemical Biology
Equivalence Class NR_all_10487.3
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 . / 101
Chain D / C
Non-redundant True
Interacting RNA chains C/C, B/B
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains B/B: unknown, C/C: unknown
RNA family global unknown
Volume 60.03 Å3
Hydrophobicity 0.011
Hydrophilicity 0.519
Buriedness 0.402
Don/acc character 3.119
SiteScore 1.052
D Score 1.012
Kd