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HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 1vq8

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 2.20
System mass 1490.22 kDa
Deposition year 2004
Molecule type RNA/DNA/Protein
# RNA entities 1
Organism Haloarcula
RCSB PDB Entry 1vq8
Reference Schmeing T. Martin, Huang Kevin S., Kitchen David E., Strobel Scott A., Steitz Thomas A.. 2005. Structural Insights into the Roles of Water and the 2′ Hydroxyl of the P Site tRNA in the Peptidyl Transferase Reaction Molecular Cell
Equivalence Class NR_all_26150.5
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 SPS
Residue . / 9701
Chain OK / 4
Non-redundant True
Interacting RNA chains C/4, A/0
RNA environment detailled DNA, protein, ion
RNA environment global RNA/DNA/Protein
RNA family chains A/0: rRNA, C/4: rRNA
RNA family global rRNA
Volume 517.59 Å3
Hydrophobicity 0.665
Hydrophilicity 1.155
Buriedness 0.814
Don/acc character 1.392
SiteScore 1.228
D Score 1.052
Kd