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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 5zei

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 2.10
System mass 14.81 kDa
Deposition year 2018
Molecule type RNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 5zei
Reference Kanazawa Hiroki, Baba Fumika, Koganei Mai, Kondo Jiro. 2017. A structural basis for the antibiotic resistance conferred by an N1-methylation of A1408 in 16S rRNA Nucleic Acids Research
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 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 45.62 Å3
Hydrophobicity 0.377
Hydrophilicity 0.752
Buriedness 0.557
Don/acc character 2.956
SiteScore 0.698
D Score 0.499
Kd

Compound GET
Residue . / 101
Chain D / B
Non-redundant False
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 81.63 Å3
Hydrophobicity 0.203
Hydrophilicity 0.813
Buriedness 0.573
Don/acc character 2.455
SiteScore 0.779
D Score 0.594
Kd