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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 5we4

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 3.10
System mass 2300.95 kDa
Deposition year 2017
Molecule type RNA/Protein
# RNA entities 1
Organism Escherichia
RCSB PDB Entry 5we4
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 . / 101
Chain BLB / v
Non-redundant False
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 628.03 Å3
Hydrophobicity 0.204
Hydrophilicity 1.392
Buriedness 0.756
Don/acc character 1.164
SiteScore 1.189
D Score 0.940
Kd

Compound GNP
Residue . / 402
Chain PLB / 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 580.36 Å3
Hydrophobicity 0.089
Hydrophilicity 2.137
Buriedness 0.785
Don/acc character 0.501
SiteScore 1.058
D Score 0.715
Kd

Compound PHE
Residue . / 401
Chain OLB / 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 427.72 Å3
Hydrophobicity 0.472
Hydrophilicity 1.401
Buriedness 0.893
Don/acc character 0.822
SiteScore 1.131
D Score 1.019
Kd