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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4k32

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 2.50
System mass 15.71 kDa
Deposition year 2013
Molecule type RNA
# RNA entities 1
Organism Leishmania
RCSB PDB Entry 4k32
Reference Shalev Moran, Kondo Jiro, Kopelyanskiy Dmitry, Jaffe Charles L., Adir Noam, Baasov Timor. 2013. Identification of the molecular attributes required for aminoglycoside activity against Leishmania Proceedings of the National Academy of Sciences
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 True
Interacting RNA chains A/A, B/B
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/A: rRNA, B/B: rRNA
RNA family global rRNA
Volume 84.72 Å3
Hydrophobicity 0.078
Hydrophilicity 0.977
Buriedness 0.578
Don/acc character 1.122
SiteScore 0.795
D Score 0.600
Kd

Compound GET
Residue . / 101
Chain D / B
Non-redundant True
Interacting RNA chains A/A, B/B
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 0.245
Hydrophilicity 0.982
Buriedness 0.574
Don/acc character 0.935
SiteScore 0.733
D Score 0.522
Kd