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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 1nwy

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 3.30
System mass 1381.16 kDa
Deposition year 2003
Molecule type RNA/Protein
# RNA entities 1
Organism Deinococcus
RCSB PDB Entry 1nwy
Reference Schlünzen Frank, Harms Jörg M, Franceschi Francois, Hansen Harly A.S, Bartels Heike, Zarivach Raz, Yonath Ada. 2003. Structural Basis for the Antibiotic Activity of Ketolides and Azalides Structure
Equivalence Class NR_all_88987.11
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 ZIT
Residue . / 2881
Chain FA / 0
Non-redundant True
Interacting RNA chains A/0
RNA environment detailled other
RNA environment global RNA/Other
RNA family chains A/0: rRNA
RNA family global rRNA
Volume 783.07 Å3
Hydrophobicity 0.428
Hydrophilicity 1.283
Buriedness 0.772
Don/acc character 1.444
SiteScore 0.643
D Score 0.985
Kd

Compound ZIT
Residue . / 2882
Chain GA / 0
Non-redundant True
Interacting RNA chains A/0
RNA environment detailled protein, other
RNA environment global RNA/Other
RNA family chains A/0: rRNA
RNA family global rRNA
Volume 544.68 Å3
Hydrophobicity 0.359
Hydrophilicity 1.296
Buriedness 0.764
Don/acc character 2.208
SiteScore 1.194
D Score 0.976
Kd