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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 6ysi

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 Electron Microscopy
Experimental resolution 2.50
System mass 1387.93 kDa
Deposition year 2020
Molecule type RNA/Protein
# RNA entities 1
Organism Acinetobacter
RCSB PDB Entry 6ysi
Reference Nicholson David, Edwards Thomas A., O'Neill Alex J., Ranson Neil A.. 2020. Structure of the 70S Ribosome from the Human Pathogen Acinetobacter baumannii in Complex with Clinically Relevant Antibiotics Structure
Equivalence Class NR_all_67384.5, NR_all_96169.5
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 T1C
Residue . / 3160
Chain JG / 1
Non-redundant True
Interacting RNA chains AA/1
RNA environment detailled protein, ion, other
RNA environment global RNA/Other
RNA family chains AA/1: rRNA
RNA family global rRNA
Volume 318.30 Å3
Hydrophobicity 0.406
Hydrophilicity 0.979
Buriedness 0.757
Don/acc character 1.138
SiteScore 0.720
D Score 0.650
Kd

Compound T1C
Residue . / 201
Chain KG / 5
Non-redundant True
Interacting RNA chains BA/5, AA/1
RNA environment detailled protein, ion, other
RNA environment global RNA/Other
RNA family chains AA/1: rRNA, BA/5: rRNA
RNA family global rRNA
Volume 358.44 Å3
Hydrophobicity 0.315
Hydrophilicity 1.791
Buriedness 0.754
Don/acc character 0.337
SiteScore 0.823
D Score 0.533
Kd

Compound T1C
Residue . / 205
Chain OG / 5
Non-redundant True
Interacting RNA chains BA/5, AA/1
RNA environment detailled protein, ion, other
RNA environment global RNA/Other
RNA family chains AA/1: rRNA, BA/5: rRNA
RNA family global rRNA
Volume 465.11 Å3
Hydrophobicity 0.016
Hydrophilicity 1.455
Buriedness 0.670
Don/acc character 1.022
SiteScore 0.981
D Score 0.868
Kd