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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 6of6

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 3.20
System mass 4529.24 kDa
Deposition year 2019
Molecule type RNA/Protein
# RNA entities 1
Organism Thermus
RCSB PDB Entry 6of6
Reference Nguyen Ha An, Sunita S., Dunham Christine M.. 2020. Disruption of evolutionarily correlated tRNA elements impairs accurate decoding Proceedings of the National Academy of Sciences
Equivalence Class NR_all_65795.87, NR_all_97519.80, NR_all_20585.6
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 AMP
Residue . / 101
Chain TI / QY
Non-redundant True
Interacting RNA chains JA/RA, Y/QY
RNA environment detailled ion
RNA environment global RNA
RNA family chains Y/QY: tRNA, JA/RA: rRNA
RNA family global multiple
Volume 256.56 Å3
Hydrophobicity 0.469
Hydrophilicity 1.043
Buriedness 0.686
Don/acc character 0.738
SiteScore 1.142
D Score 1.011
Kd

Compound PAR
Residue . / 1711
Chain OH / QA
Non-redundant True
Interacting RNA chains A/QA
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/QA: rRNA
RNA family global rRNA
Volume 302.18 Å3
Hydrophobicity 0.150
Hydrophilicity 1.061
Buriedness 0.690
Don/acc character 2.694
SiteScore 1.042
D Score 0.877
Kd

Compound PAR
Residue . / 1717
Chain YCA / XA
Non-redundant True
Interacting RNA chains EB/XA
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains EB/XA: rRNA
RNA family global rRNA
Volume 314.53 Å3
Hydrophobicity 0.148
Hydrophilicity 1.068
Buriedness 0.684
Don/acc character 2.703
SiteScore 1.080
D Score 0.924
Kd