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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 6rw4

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 2.97
System mass 1179.57 kDa
Deposition year 2019
Molecule type RNA/Protein
# RNA entities 1
Organism Homo
RCSB PDB Entry 6rw4
Reference Khawaja Anas, Itoh Yuzuru, Remes Cristina, Spåhr Henrik, Yukhnovets Olessya, Höfig Henning, Amunts Alexey, Rorbach Joanna. 2020. Distinct pre-initiation steps in human mitochondrial translation Nature Communications
Equivalence Class NR_all_93855.32
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 NAD
Residue . / 1701
Chain GA / A
Non-redundant False
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 695.60 Å3
Hydrophobicity 0.285
Hydrophilicity 1.151
Buriedness 0.830
Don/acc character 0.976
SiteScore 0.779
D Score 1.024
Kd

Compound SPM
Residue . / 1702
Chain HA / A
Non-redundant False
Interacting RNA chains A/A
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/A: rRNA
RNA family global rRNA
Volume 830.06 Å3
Hydrophobicity 0.186
Hydrophilicity 1.208
Buriedness 0.808
Don/acc character 3.282
SiteScore 1.224
D Score 1.031
Kd

Compound SRY
Residue . / 1703
Chain IA / A
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 249.70 Å3
Hydrophobicity 0.368
Hydrophilicity 1.041
Buriedness 0.695
Don/acc character 2.551
SiteScore 1.058
D Score 0.902
Kd