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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4p3s

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 2.30
System mass 16.31 kDa
Deposition year 2014
Molecule type RNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 4p3s
Equivalence Class NR_all_71199.7
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 GET
Residue . / 101
Chain C / A
Non-redundant False
Interacting RNA chains B/B, A/A
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/A: rRNA, B/B: rRNA
RNA family global rRNA
Volume 50.42 Å3
Hydrophobicity 0.246
Hydrophilicity 0.880
Buriedness 0.548
Don/acc character 2.477
SiteScore 0.793
D Score 0.614
Kd

Compound GET
Residue . / 102
Chain D / A
Non-redundant False
Interacting RNA chains B/B, A/A
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/A: rRNA, B/B: rRNA
RNA family global rRNA
Volume 87.47 Å3
Hydrophobicity 0.224
Hydrophilicity 0.764
Buriedness 0.571
Don/acc character 3.228
SiteScore 0.787
D Score 0.609
Kd

Compound GET
Residue . / 103
Chain E / A
Non-redundant False
Interacting RNA chains B/B, A/A
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/A: rRNA, B/B: rRNA
RNA family global rRNA
Volume 53.17 Å3
Hydrophobicity 0.000
Hydrophilicity 1.019
Buriedness 0.629
Don/acc character 0.771
SiteScore 0.669
D Score 0.422
Kd