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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4pjo

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 3.30
System mass 453.82 kDa
Deposition year 2014
Molecule type RNA/Protein
# RNA entities 1
Organism Homo
RCSB PDB Entry 4pjo
Reference Kondo Yasushi, Oubridge Chris, van Roon Anne-Marie M, Nagai Kiyoshi. 2015. Crystal structure of human U1 snRNP, a small nuclear ribonucleoprotein particle, reveals the mechanism of 5′ splice site recognition eLife
Equivalence Class NR_all_72137.3
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 EPE
Residue . / 201
Chain TA / 1
Non-redundant True
Interacting RNA chains J/1
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains J/1: TAR_rna
RNA family global TAR_rna
Volume 438.70 Å3
Hydrophobicity 0.074
Hydrophilicity 1.042
Buriedness 0.686
Don/acc character 1.698
SiteScore 0.728
D Score 0.674
Kd

Compound EPE
Residue . / 201
Chain HB / 2
Non-redundant True
Interacting RNA chains U/2
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains U/2: TAR_rna
RNA family global TAR_rna
Volume 518.27 Å3
Hydrophobicity 0.094
Hydrophilicity 1.466
Buriedness 0.720
Don/acc character 0.935
SiteScore 1.027
D Score 0.718
Kd