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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4gpw

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 15.67 kDa
Deposition year 2012
Molecule type RNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 4gpw
Reference Kondo Jiro, Koganei Mai, Maianti Juan Pablo, Ly Vu Linh, Hanessian Stephen. 2013. Crystal Structures of a Bioactive 6′‐Hydroxy Variant of Sisomicin Bound to the Bacterial and Protozoal Ribosomal Decoding Sites ChemMedChem
Equivalence Class NR_all_71199.7
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 6HS
Residue . / 101
Chain C / A
Non-redundant False
Interacting RNA chains A/A, B/B
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/A: rRNA, B/B: rRNA
RNA family global rRNA
Volume 86.09 Å3
Hydrophobicity 0.370
Hydrophilicity 0.969
Buriedness 0.617
Don/acc character 1.344
SiteScore 0.834
D Score 0.641
Kd

Compound 6HS
Residue . / 102
Chain D / A
Non-redundant False
Interacting RNA chains A/A, B/B
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/A: rRNA, B/B: rRNA
RNA family global rRNA
Volume 81.63 Å3
Hydrophobicity 0.054
Hydrophilicity 1.058
Buriedness 0.550
Don/acc character 1.335
SiteScore 0.770
D Score 0.565
Kd