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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 5wdt

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 3.00
System mass 2308.00 kDa
Deposition year 2017
Molecule type RNA/Protein
# RNA entities 1
Organism Escherichia
RCSB PDB Entry 5wdt
Reference Fislage Marcus, Zhang Jingji, Brown Zuben Patrick, Mandava Chandra Sekhar, Sanyal Suparna, Ehrenberg Måns, Frank Joachim. 2018. Cryo-EM shows stages of initial codon selection on the ribosome by aa-tRNA in ternary complex with GTP and the GTPase-deficient EF-TuH84A Nucleic Acids Research
Equivalence Class NR_all_35542.167, NR_all_83717.187, NR_all_19951.102
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 FME
Residue . / 3001
Chain HB / A
Non-redundant True
Interacting RNA chains A/A, CB/v
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/A: rRNA, CB/v: tRNA
RNA family global multiple
Volume 591.68 Å3
Hydrophobicity 0.063
Hydrophilicity 2.064
Buriedness 0.761
Don/acc character 0.746
SiteScore 1.192
D Score 0.724
Kd

Compound GNP
Residue . / 402
Chain QWB / z
Non-redundant True
Interacting RNA chains A/A
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains A/A: rRNA
RNA family global rRNA
Volume 614.31 Å3
Hydrophobicity 0.214
Hydrophilicity 1.840
Buriedness 0.791
Don/acc character 0.619
SiteScore 1.062
D Score 0.815
Kd

Compound PHE
Residue . / 401
Chain PWB / z
Non-redundant True
Interacting RNA chains FB/y
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains FB/y: tRNA
RNA family global tRNA
Volume 454.82 Å3
Hydrophobicity 0.144
Hydrophilicity 1.433
Buriedness 0.881
Don/acc character 0.895
SiteScore 1.122
D Score 1.002
Kd