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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 6wtl

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 2.85
System mass 41.80 kDa
Deposition year 2020
Molecule type RNA
# RNA entities 1
Organism Homo
RCSB PDB Entry 6wtl
Equivalence Class NR_all_94866.4
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 2BA
Residue . / 201
Chain B / A
Non-redundant False
Interacting RNA chains A/A
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/A: riboswitch
RNA family global riboswitch
Volume 602.65 Å3
Hydrophobicity 0.231
Hydrophilicity 1.044
Buriedness 0.723
Don/acc character 1.208
SiteScore 1.166
D Score 1.033
Kd

Compound 2BA
Residue . / 202
Chain C / A
Non-redundant False
Interacting RNA chains A/A
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/A: riboswitch
RNA family global riboswitch
Volume 454.13 Å3
Hydrophobicity 0.167
Hydrophilicity 1.097
Buriedness 0.708
Don/acc character 1.240
SiteScore 1.157
D Score 1.007
Kd