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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 5aa0

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 5.00
System mass 2311.02 kDa
Deposition year 2015
Molecule type RNA/Protein
# RNA entities 1
Organism Thermus
RCSB PDB Entry 5aa0
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, NR_all_95556.9
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 8AN
Residue . / 3002
Chain HB / AA
Non-redundant True
Interacting RNA chains A/AA, DB/BD
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/AA: rRNA, DB/BD: tRNA
RNA family global multiple
Volume 781.35 Å3
Hydrophobicity 0.149
Hydrophilicity 1.358
Buriedness 0.743
Don/acc character 2.136
SiteScore 1.180
D Score 0.943
Kd

Compound NMY
Residue . / 3001
Chain GB / AA
Non-redundant True
Interacting RNA chains A/AA
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/AA: rRNA
RNA family global rRNA
Volume 45.62 Å3
Hydrophobicity 0.347
Hydrophilicity 0.734
Buriedness 0.595
Don/acc character 1.784
SiteScore 0.661
D Score 0.443
Kd

Compound NMY
Residue . / 1601
Chain JB / 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 278.52 Å3
Hydrophobicity 0.255
Hydrophilicity 0.905
Buriedness 0.677
Don/acc character 3.636
SiteScore 1.097
D Score 0.968
Kd