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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 8c3a

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 3.00
System mass 6408.99 kDa
Deposition year 2022
Molecule type RNA/Protein
# RNA entities 1
Organism Candida
RCSB PDB Entry 8c3a
Equivalence Class NR_all_58155.3
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 3K5
Residue . / 3403
Chain JF / 1
Non-redundant True
Interacting RNA chains A/1
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains A/1: rRNA
RNA family global rRNA
Volume 546.74 Å3
Hydrophobicity 0.198
Hydrophilicity 1.153
Buriedness 0.740
Don/acc character 0.854
SiteScore 1.178
D Score 1.008
Kd

Compound 3K5
Residue . / 3401
Chain OLA / AS
Non-redundant True
Interacting RNA chains BC/AS
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains BC/AS: rRNA
RNA family global rRNA
Volume 585.16 Å3
Hydrophobicity 0.369
Hydrophilicity 0.981
Buriedness 0.755
Don/acc character 0.839
SiteScore 1.050
D Score 1.073
Kd

Compound TIX
Residue . / 3958
Chain SAA / 1
Non-redundant True
Interacting RNA chains A/1
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/1: rRNA
RNA family global rRNA
Volume 783.07 Å3
Hydrophobicity 0.555
Hydrophilicity 1.688
Buriedness 0.792
Don/acc character 0.701
SiteScore 1.213
D Score 0.865
Kd

Compound TIX
Residue . / 3782
Chain FAB / AS
Non-redundant True
Interacting RNA chains BC/AS
RNA environment detailled ion
RNA environment global RNA
RNA family chains BC/AS: rRNA
RNA family global rRNA
Volume 783.41 Å3
Hydrophobicity 0.339
Hydrophilicity 1.283
Buriedness 0.799
Don/acc character 1.596
SiteScore 1.217
D Score 1.001
Kd