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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4gpx

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 2.60
System mass 15.67 kDa
Deposition year 2012
Molecule type RNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 4gpx
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 True
Interacting RNA chains B/B, A/A
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/A: rRNA, B/B: rRNA
RNA family global rRNA
Volume 76.49 Å3
Hydrophobicity 0.375
Hydrophilicity 0.785
Buriedness 0.585
Don/acc character 2.339
SiteScore 0.799
D Score 0.619
Kd

Compound 6HS
Residue . / 101
Chain D / B
Non-redundant True
Interacting RNA chains B/B, A/A
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/A: rRNA, B/B: rRNA
RNA family global rRNA
Volume 65.17 Å3
Hydrophobicity 0.211
Hydrophilicity 0.871
Buriedness 0.588
Don/acc character 1.411
SiteScore 0.778
D Score 0.584
Kd