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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 7rex

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 2.60
System mass 33.72 kDa
Deposition year 2021
Molecule type RNA
# RNA entities 1
Organism Carnobacterium
RCSB PDB Entry 7rex
Reference Schroeder Griffin M., Cavender Chapin E., Blau Maya E., Jenkins Jermaine L., Mathews David H., Wedekind Joseph E.. 2022. A small RNA that cooperatively senses two stacked metabolites in one pocket for gene control Nature Communications
Equivalence Class NR_all_07310.3
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 PRF
Residue . / 101
Chain D / A
Non-redundant True
Interacting RNA chains A/A
RNA environment detailled other
RNA environment global RNA/Other
RNA family chains A/A: riboswitch
RNA family global riboswitch
Volume 395.82 Å3
Hydrophobicity 0.501
Hydrophilicity 1.114
Buriedness 0.678
Don/acc character 0.996
SiteScore 1.137
D Score 0.984
Kd

Compound PRF
Residue . / 102
Chain E / A
Non-redundant False
Interacting RNA chains A/A
RNA environment detailled other
RNA environment global RNA/Other
RNA family chains A/A: riboswitch
RNA family global riboswitch
Volume 360.84 Å3
Hydrophobicity 0.537
Hydrophilicity 1.336
Buriedness 0.743
Don/acc character 0.685
SiteScore 1.180
D Score 0.950
Kd

Compound PRF
Residue . / 101
Chain I / B
Non-redundant False
Interacting RNA chains B/B
RNA environment detailled other
RNA environment global RNA/Other
RNA family chains B/B: riboswitch
RNA family global riboswitch
Volume 422.23 Å3
Hydrophobicity 0.591
Hydrophilicity 1.156
Buriedness 0.701
Don/acc character 0.715
SiteScore 1.152
D Score 0.983
Kd

Compound PRF
Residue . / 102
Chain J / B
Non-redundant False
Interacting RNA chains B/B
RNA environment detailled other
RNA environment global RNA/Other
RNA family chains B/B: riboswitch
RNA family global riboswitch
Volume 334.43 Å3
Hydrophobicity 0.629
Hydrophilicity 1.386
Buriedness 0.757
Don/acc character 0.562
SiteScore 1.178
D Score 0.928
Kd

Compound PRF
Residue . / 101
Chain K / C
Non-redundant True
Interacting RNA chains C/C
RNA environment detailled other
RNA environment global RNA/Other
RNA family chains C/C: riboswitch
RNA family global riboswitch
Volume 408.17 Å3
Hydrophobicity 0.506
Hydrophilicity 1.122
Buriedness 0.715
Don/acc character 0.946
SiteScore 1.162
D Score 1.003
Kd

Compound PRF
Residue . / 102
Chain L / C
Non-redundant False
Interacting RNA chains C/C
RNA environment detailled other
RNA environment global RNA/Other
RNA family chains C/C: riboswitch
RNA family global riboswitch
Volume 315.22 Å3
Hydrophobicity 0.527
Hydrophilicity 1.156
Buriedness 0.710
Don/acc character 0.658
SiteScore 1.105
D Score 0.921
Kd