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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 5a9z

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 Electron Microscopy
Experimental resolution 4.70
System mass 2236.39 kDa
Deposition year 2015
Molecule type RNA/Protein
# RNA entities 1
Organism Thermus
RCSB PDB Entry 5a9z
Reference Kumar Veerendra, Chen Yun, Ero Rya, Ahmed Tofayel, Tan Jackie, Li Zhe, Wong Andrew See Weng, Bhushan Shashi, Gao Yong-Gui. 2015. Structure of BipA in GTP form bound to the ratcheted ribosome Proceedings of the National Academy of Sciences
Equivalence Class NR_all_65795.87, NR_all_97519.80
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 NMY
Residue . / 3001
Chain DB / AA
Non-redundant True
Interacting RNA chains A/AA, HA/BA
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/AA: rRNA, HA/BA: rRNA
RNA family global rRNA
Volume 51.45 Å3
Hydrophobicity 0.241
Hydrophilicity 0.822
Buriedness 0.596
Don/acc character 2.249
SiteScore 0.665
D Score 0.441
Kd

Compound NMY
Residue . / 1601
Chain EB / BA
Non-redundant True
Interacting RNA chains HA/BA
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains HA/BA: rRNA
RNA family global rRNA
Volume 350.89 Å3
Hydrophobicity 0.301
Hydrophilicity 1.014
Buriedness 0.702
Don/acc character 1.671
SiteScore 1.128
D Score 0.992
Kd