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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 5l00

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 1.25
System mass 20.98 kDa
Deposition year 2016
Molecule type RNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 5l00
Reference Zhang Wen, Tam Chun Pong, Wang Jiawei, Szostak Jack W.. 2016. Unusual Base-Pairing Interactions in Monomer–Template Complexes ACS Central Science
Equivalence Class NR_all_16232.7
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 5GP
Residue . / 101
Chain E / A
Non-redundant True
Interacting RNA chains A/A, B/B
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/A: synthetic construct, B/B: synthetic construct
RNA family global synthetic construct
Volume -
Hydrophobicity -
Hydrophilicity -
Buriedness -
Don/acc character -
SiteScore -
D Score -
Kd

Compound 5GP
Residue . / 102
Chain F / A
Non-redundant True
Interacting RNA chains A/A, B/B
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/A: synthetic construct, B/B: synthetic construct
RNA family global synthetic construct
Volume -
Hydrophobicity -
Hydrophilicity -
Buriedness -
Don/acc character -
SiteScore -
D Score -
Kd

Compound 5GP
Residue . / 102
Chain J / C
Non-redundant True
Interacting RNA chains C/C, D/D
RNA environment detailled ion
RNA environment global RNA
RNA family chains C/C: synthetic construct, D/D: synthetic construct
RNA family global synthetic construct
Volume 32.59 Å3
Hydrophobicity 0.398
Hydrophilicity 0.863
Buriedness 0.485
Don/acc character 2.349
SiteScore 0.533
D Score 0.489
Kd

Compound 5GP
Residue . / 103
Chain K / C
Non-redundant True
Interacting RNA chains C/C, D/D
RNA environment detailled ion
RNA environment global RNA
RNA family chains C/C: synthetic construct, D/D: synthetic construct
RNA family global synthetic construct
Volume -
Hydrophobicity -
Hydrophilicity -
Buriedness -
Don/acc character -
SiteScore -
D Score -
Kd