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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4v4h

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 3.46
System mass 4301.00 kDa
Deposition year 2006
Molecule type RNA/Protein
# RNA entities 1
Organism Escherichia
RCSB PDB Entry 4v4h
Reference Schuwirth Barbara S, Day J Michael, Hau Cathy W, Janssen Gary R, Dahlberg Albert E, Cate Jamie H Doudna, Vila-Sanjurjo Antón. 2006. Structural analysis of kasugamycin inhibition of translation Nature Structural & Molecular Biology
Equivalence Class NR_all_56726.172
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 KSG
Residue . / 1601
Chain AD / AA
Non-redundant True
Interacting RNA chains A/AA
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/AA: rRNA
RNA family global rRNA
Volume 420.86 Å3
Hydrophobicity 0.043
Hydrophilicity 1.386
Buriedness 0.714
Don/acc character 1.969
SiteScore 1.160
D Score 0.916
Kd

Compound KSG
Residue . / 1601
Chain PJ / CA
Non-redundant True
Interacting RNA chains AB/CA
RNA environment detailled ion
RNA environment global RNA
RNA family chains AB/CA: rRNA
RNA family global rRNA
Volume 369.75 Å3
Hydrophobicity 0.078
Hydrophilicity 1.394
Buriedness 0.695
Don/acc character 1.801
SiteScore 1.148
D Score 0.902
Kd