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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 6wtr

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 3.08
System mass 41.94 kDa
Deposition year 2020
Molecule type RNA
# RNA entities 1
Organism Homo
RCSB PDB Entry 6wtr
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 618.43 Å3
Hydrophobicity 0.197
Hydrophilicity 1.009
Buriedness 0.717
Don/acc character 1.321
SiteScore 1.169
D Score 1.041
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 309.39 Å3
Hydrophobicity 0.231
Hydrophilicity 0.983
Buriedness 0.702
Don/acc character 1.462
SiteScore 1.107
D Score 0.967
Kd