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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 1mwl

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 2.40
System mass 15.09 kDa
Deposition year 2002
Molecule type RNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 1mwl
Reference Vicens Quentin, Westhof Eric. 2003. Crystal Structure of Geneticin Bound to a Bacterial 16S Ribosomal RNA A Site Oligonucleotide Journal of Molecular Biology
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 GET
Residue . / 45
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 -
Hydrophobicity -
Hydrophilicity -
Buriedness -
Don/acc character -
SiteScore -
D Score -
Kd

Compound GET
Residue . / 46
Chain D / 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 102.21 Å3
Hydrophobicity 0.164
Hydrophilicity 0.846
Buriedness 0.549
Don/acc character 2.324
SiteScore 0.776
D Score 0.594
Kd